Geometry & MOs

Info

ID:	9410
PubChem CID:	89339
Reduced:	O4C21H28 (1)
Stoich.:	A4B21C28 (1)
Weight, g/mol:	344.198759
ΔH_f, kcal/mol:	-176.77
Dipole, Da:	5.1
IP(EA), eV:	-9.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-acetyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O

DOS

IR

Vibrations