Geometry & MOs

Info

ID:	32110
PubChem CID:	4266094
Reduced:	ClO2C21H29 (1)
Stoich.:	AB2C21D29 (1)
Weight, g/mol:	341.235479
ΔH_f, kcal/mol:	-127.73
Dipole, Da:	5.28
IP(EA), eV:	-9.97(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyano-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34CCl)C

DOS

IR

Vibrations