Geometry & MOs

Info

ID:	22182
PubChem CID:	596174
Reduced:	O4C21H28 (1)
Stoich.:	A4B21C28 (1)
Weight, g/mol:	344.198759
ΔH_f, kcal/mol:	-189.47
Dipole, Da:	4.11
IP(EA), eV:	-9.84(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-acetyl-12-hydroxy-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

Drug info:

PubChemData

Smile

CC(=O)C1CCC2C1(C(C(=O)C3C2CCC4=CC(=O)CCC34C)O)C

DOS

IR

Vibrations