Geometry & MOs

Info

ID:

325056

PubChem CID:

126679413

Reduced:

O4N5C19H24 (1)

Stoich.:

A4B5C19D24 (1)

Weight, g/mol:

134.084398

ΔHf, kcal/mol:

-32.38

Dipole, Da:

7.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.099079

Charge, e:

 0

Chem-info

IUPAC name:

2-[(Z)-2-aminoethenyl]aniline

Drug info:

PubChemData

Smile

C1COCCC1C(CO)NC(=O)C2=NN(C3=C2CC4C3C4)C5=C[N+](=O)C=CN5

DOS

IR

Vibrations