Geometry & MOs

Info

ID:	721
PubChem CID:	3262
Reduced:	O3C25H28 (1)
Stoich.:	A3B25C28 (1)
Weight, g/mol:	376.203845
ΔH_f, kcal/mol:	-111.46
Dipole, Da:	2.51
IP(EA), eV:	-8.89(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations