Geometry & MOs

Info

ID:	18882
PubChem CID:	550246
Reduced:	OC29H48 (1)
Stoich.:	AB29C48 (1)
Weight, g/mol:	412.370516
ΔH_f, kcal/mol:	-116.38
Dipole, Da:	2.53
IP(EA), eV:	-9.23(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-(5,5,6-trimethylhept-3-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC(C)C(C)(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

DOS

IR

Vibrations