Geometry & MOs

Info

ID:	13227
PubChem CID:	223526
Reduced:	O4C23H34 (1)
Stoich.:	A4B23C34 (1)
Weight, g/mol:	374.24571
ΔH_f, kcal/mol:	-228.7
Dipole, Da:	2.51
IP(EA), eV:	-9.58(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17-acetyloxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C3CCC4(C(C3CCC2=C1)CCC4OC(=O)C)C)C

DOS

IR

Vibrations