Geometry & MOs

Info

ID:	724
PubChem CID:	3266
Reduced:	O3C21H28 (1)
Stoich.:	A3B21C28 (1)
Weight, g/mol:	328.203845
ΔH_f, kcal/mol:	-155.31
Dipole, Da:	1.95
IP(EA), eV:	-8.76(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) propanoate

Drug info:

PubChemData

Smile

CCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C

DOS

IR

Vibrations