Geometry & MOs

Info

ID:

411516

PubChem CID:

135084348

Reduced:

N3C12H20 (1)

Stoich.:

A3B12C20 (1)

Weight, g/mol:

158.084398

ΔHf, kcal/mol:

45.25

Dipole, Da:

2.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.947547

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-4-phenylbut-3-yn-2-ylidenehydrazine

Drug info:

PubChemData

Smile

CN1C=CC=C1/C(=C\C=[N+](C)C)/N(C)C

DOS

IR

Vibrations