Geometry & MOs

Info

ID:	678
PubChem CID:	3181
Reduced:	O2C21H28 (1)
Stoich.:	A2B21C28 (1)
Weight, g/mol:	312.20893
ΔH_f, kcal/mol:	-41.66
Dipole, Da:	8.27
IP(EA), eV:	-8.3(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC(=O)C1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34C)C

DOS

IR

Vibrations