Geometry & MOs

Info

ID:

6308

PubChem CID:

68003

Reduced:

O2N3H6C7 (1)

Stoich.:

A2B3C6D7 (1)

Weight, g/mol:

164.046001

ΔHf, kcal/mol:

67.53

Dipole, Da:

2.75

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.923389

Charge, e:

 1

Chem-info

IUPAC name:

2-methyl-4-nitrobenzenediazonium

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])[N+]#N

DOS

IR

Vibrations