Geometry & MOs

Info

ID:

401738

PubChem CID:

135052374

Reduced:

N4H13C19 (1)

Stoich.:

A4B13C19 (1)

Weight, g/mol:

136.039853

ΔHf, kcal/mol:

171.29

Dipole, Da:

3.8

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.076216

Charge, e:

 -1

Chem-info

IUPAC name:

N-hydroxy-1-phenylmethanimine oxide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C3=C2C=C(C=C3)[N+]#N)C4=CC=CC=C4

DOS

IR

Vibrations