Geometry & MOs

Info

ID:

10628

PubChem CID:

105775

Reduced:

O2N3H6C7 (1)

Stoich.:

A2B3C6D7 (1)

Weight, g/mol:

164.046001

ΔHf, kcal/mol:

68.12

Dipole, Da:

5.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.844989

Charge, e:

 1

Chem-info

IUPAC name:

2-methyl-5-nitrobenzenediazonium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations