Geometry & MOs

Info

ID:	449710
PubChem CID:	135300856
Reduced:	NH23C30 (1)
Stoich.:	AB23C30 (1)
Weight, g/mol:	935.387563
ΔH_f, kcal/mol:	110.31
Dipole, Da:	1.35
IP(EA), eV:	-8.01(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(49-oxatridecacyclo[29.14.1.11,14.16,9.116,29.02,7.08,13.016,46.017,22.023,28.031,44.032,37.038,43]nonatetraconta-2,4,6,8(13),9,11,17,19,21,23,25,27,32,34,36,38,40,42-octadecaen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CC2=C(C=C1)C=CC3=C2C=C(C=C3)NC4=CC5=C(C=CC=C5C6=CC=CC=C6)C=C4

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CC2=C(C=C1)C=CC3=C2C=C(C=C3)NC4=CC5=C(C=CC=C5C6=CC=CC=C6)C=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):