Geometry & MOs

Info

ID:	145085
PubChem CID:	53458705
Reduced:	NCl3O3H9C17 (1)
Stoich.:	AB3C3D9E17 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-27.65
Dipole, Da:	2.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.972615
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-tert-butylcyclohexen-1-yl)hydrazinyl]-2-oxo-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=CC2=CC(=C(C(=C2)Cl)OCC(=O)[O-])Cl)C#N)Cl

DOS

IR

Vibrations