Geometry & MOs

Info

ID:

19592

PubChem CID:

568663

Reduced:

ON4H7C9 (1)

Stoich.:

AB4C7D9 (1)

Weight, g/mol:

187.061986

ΔHf, kcal/mol:

87.88

Dipole, Da:

7.8

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.769211

Charge, e:

1

Chem-info

IUPAC name:

2-anilino-1-cyano-2-hydroxyethenediazonium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations