Geometry & MOs

Info

ID:	1712
PubChem CID:	4920
Reduced:	O2C21H30 (1)
Stoich.:	A2B21C30 (1)
Weight, g/mol:	314.22458
ΔH_f, kcal/mol:	-121.1
Dipole, Da:	4.2
IP(EA), eV:	-9.82(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

DOS

IR

Vibrations