Geometry & MOs

Info

ID:	87
PubChem CID:	2096
Reduced:	OC21H32 (1)
Stoich.:	AB21C32 (1)
Weight, g/mol:	300.245316
ΔH_f, kcal/mol:	-73.65
Dipole, Da:	1.53
IP(EA), eV:	-9.09(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methyl-17-prop-2-enyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(CC=C)O)CCC4=CCCCC34

DOS

IR

Vibrations