Geometry & MOs

Info

ID:	429392
PubChem CID:	135169415
Reduced:	N2C25H30 (1)
Stoich.:	A2B25C30 (1)
Weight, g/mol:	565.19026
ΔH_f, kcal/mol:	33.94
Dipole, Da:	3.55
IP(EA), eV:	-8.2(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

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

CC(C)(C)C1=CC2=C(CN(C2)C3=CN=C4C=CC(=CC4=C3)C(C)(C)C)C=C1

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

CC(C)(C)C1=CC2=C(CN(C2)C3=CN=C4C=CC(=CC4=C3)C(C)(C)C)C=C1

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):