Geometry & MOs

Info

ID:

410320

PubChem CID:

135083113

Reduced:

O2N3H4C6 (1)

Stoich.:

A2B3C4D6 (1)

Weight, g/mol:

194.080376

ΔHf, kcal/mol:

17.34

Dipole, Da:

3.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.044407

Charge, e:

 0

Chem-info

IUPAC name:

4,7-dimethoxybenzotriazol-1-amine

Drug info:

PubChemData

Smile

C1=CN=CC(=C1C(=O)O)[N+]#N

DOS

IR

Vibrations