Geometry & MOs

Info

ID:	203449
PubChem CID:	79831550
Reduced:	ClN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	294.07712
ΔH_f, kcal/mol:	-23.56
Dipole, Da:	5.35
IP(EA), eV:	-8.79(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(cyclohex-3-en-1-ylmethyl)-2-nitrobenzamide

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)C3=C(C(=CC=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations