Geometry & MOs

Info

ID:	411166
PubChem CID:	135083977
Reduced:	PC17H22 (1)
Stoich.:	AB17C22 (1)
Weight, g/mol:	540.281701
ΔH_f, kcal/mol:	37.16
Dipole, Da:	0.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.026077
Charge, e:	0

Chem-info

IUPAC name:

5,11-dibenzhydryltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

Drug info:

PubChemData

Smile

CC(C)P([C]1[CH][CH][CH][C]1C2=CC=CC=C2)C(C)C

DOS

IR

Vibrations