Geometry & MOs

Info

ID:

128801

PubChem CID:

51058463

Reduced:

OCl2N3H12C16 (1)

Stoich.:

AB2C3D12E16 (1)

Weight, g/mol:

372.98684

ΔHf, kcal/mol:

32.44

Dipole, Da:

4.8

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.121924

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-3,5-dinitrobenzamide;hydrate

Drug info:

PubChemData

Smile

C1=CC=C2C=[N+](N=CC2=C1)CC(=O)NC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations