Geometry & MOs

Info

ID:	24534
PubChem CID:	610764
Reduced:	OC27H42 (1)
Stoich.:	AB27C42 (1)
Weight, g/mol:	382.323566
ΔH_f, kcal/mol:	-87.92
Dipole, Da:	2.74
IP(EA), eV:	-8.24(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CC=C3C2=CC=C4C3(CCC(C4)O)C)C

DOS

IR

Vibrations