Geometry & MOs

Info

ID:	725
PubChem CID:	3267
Reduced:	O3C23H32 (1)
Stoich.:	A3B23C32 (1)
Weight, g/mol:	356.235145
ΔH_f, kcal/mol:	-165.51
Dipole, Da:	1.85
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) pentanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations