Geometry & MOs

Info

ID:

151392

PubChem CID:

53801186

Reduced:

N3O4C12H16 (1)

Stoich.:

A3B4C12D16 (1)

Weight, g/mol:

397.8088

ΔHf, kcal/mol:

-111.83

Dipole, Da:

5.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.850106

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,2,2-tribromoethylideneamino)benzamide

Drug info:

PubChemData

Smile

CCCOC(=O)C1=C(C(=O)[N+]2=C(N1)C=CN2)CCO

DOS

IR

Vibrations