Geometry & MOs

Info

ID:	298102
PubChem CID:	117647532
Reduced:	FPN3O9C21H27 (1)
Stoich.:	ABC3D9E21F27 (1)
Weight, g/mol:	677.30825
ΔH_f, kcal/mol:	-477.27
Dipole, Da:	4.63
IP(EA), eV:	-9.76(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(15,15-dimethyl-10-naphthalen-1-yl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)-2-(2-methylphenyl)-N,N-diphenylaniline

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

C[C@@H](C(=O)OC(C)C)NP(=O)(OCC1[C@H]([C@H](C(O1)N2C=CC(=O)NC2=O)F)O)OC3=CC=CC=C3

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

C[C@@H](C(=O)OC(C)C)NP(=O)(OCC1[C@H]([C@H](C(O1)N2C=CC(=O)NC2=O)F)O)OC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):