Geometry & MOs

Info

ID:	217030
PubChem CID:	85087138
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	325.204179
ΔH_f, kcal/mol:	-121.89
Dipole, Da:	2.93
IP(EA), eV:	-9.1(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)propanenitrile

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC(C1CCC2=CC3=CC=CC=C3C=C12)C(=O)O

DOS

IR

Vibrations