Geometry & MOs

Info

ID:

164876

PubChem CID:

74464764

Reduced:

NO2C12H16 (1)

Stoich.:

AB2C12D16 (1)

Weight, g/mol:

237.073613

ΔHf, kcal/mol:

-34.7

Dipole, Da:

6.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.944588

Charge, e:

 -1

Chem-info

IUPAC name:

2-nitro-N-(tetrazolidin-5-yl)benzenecarboximidate

Drug info:

PubChemData

Smile

C1C[NH+]2CCC1C(C2=CC3=CC=CO3)O

DOS

IR

Vibrations