Geometry & MOs

Info

ID:	20076
PubChem CID:	578821
Reduced:	OC27H42 (1)
Stoich.:	AB27C42 (1)
Weight, g/mol:	382.323566
ΔH_f, kcal/mol:	-85.3
Dipole, Da:	4.11
IP(EA), eV:	-9.31(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-(6-methylheptan-2-yl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-one

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC=CC(=O)C34C)C

DOS

IR

Vibrations