Geometry & MOs

Info

ID:	39088
PubChem CID:	8139673
Reduced:	ClN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	347.103669
ΔH_f, kcal/mol:	-9.79
Dipole, Da:	14.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.026014
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations