Geometry & MOs

Info

ID:	30500
PubChem CID:	841419
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	332.09277
ΔH_f, kcal/mol:	-42.31
Dipole, Da:	3.99
IP(EA), eV:	-9.63(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)COC2=CC=CC=C2C=NNC(=O)N

DOS

IR

Vibrations