Geometry & MOs

Info

ID:	185921
PubChem CID:	77369733
Reduced:	ClO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	300.245316
ΔH_f, kcal/mol:	-83.55
Dipole, Da:	2.99
IP(EA), eV:	-9.68(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13,17-trimethyl-6-methylidene-2,3,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

CC1=C2CCC3C(C2(CCC1=O)C)CCC4(C3CCC4(C#CCl)O)C

DOS

IR

Vibrations