Geometry & MOs

Info

ID:	189631
PubChem CID:	77883335
Reduced:	O2C11H19 (2)
Stoich.:	A2B11C19 (2)
Weight, g/mol:	393.230394
ΔH_f, kcal/mol:	-235.02
Dipole, Da:	3.27
IP(EA), eV:	-9.44(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-cyano-2-(10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)prop-2-enyl] acetate

Drug info:

PubChemData

Smile

CCCCC(C)C(=O)CC=C1CCC(C1CCCCCCC(=O)OC)O

DOS

IR

Vibrations