Geometry & MOs

Info

ID:	13496
PubChem CID:	238651
Reduced:	OC11H16 (2)
Stoich.:	AB11C16 (2)
Weight, g/mol:	328.24023
ΔH_f, kcal/mol:	-127.04
Dipole, Da:	3.0
IP(EA), eV:	-9.8(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2C3CCC4=CC(=O)CCC4(C3CCC2(C1C(=O)C)C)C

DOS

IR

Vibrations