Geometry & MOs

Info

ID:	1250
PubChem CID:	4043
Reduced:	O3C22H32 (1)
Stoich.:	A3B22C32 (1)
Weight, g/mol:	344.235145
ΔH_f, kcal/mol:	-104.51
Dipole, Da:	5.34
IP(EA), eV:	-9.84(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-acetyl-11-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)CC4)C)O)C)C(=O)C

DOS

IR

Vibrations