Geometry & MOs

Info

ID:	397556
PubChem CID:	135030381
Reduced:	O3H22C28 (1)
Stoich.:	A3B22C28 (1)
Weight, g/mol:	394.229666
ΔH_f, kcal/mol:	0.59
Dipole, Da:	2.8
IP(EA), eV:	-9.59(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-heptacyclo[6.6.6.13,6.110,13.02,7.09,14.015,20]docosa-15,17,19-trienyl(phenyl)methanone

Drug info:

PubChemData

Smile

C1CC2CC1C3C2C4(C5=CC=CC=C5C3C6=C4C(=O)C=CC6=O)C(=O)C7=CC=CC=C7

DOS

IR

Vibrations