Geometry & MOs

Info

ID:

413011

PubChem CID:

135085955

Reduced:

N2O2C12H13 (1)

Stoich.:

A2B2C12D13 (1)

Weight, g/mol:

214.121846

ΔHf, kcal/mol:

14.33

Dipole, Da:

4.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.794000

Charge, e:

 0

Chem-info

IUPAC name:

2-(5-azidopent-1-ynyl)-N-methylaniline

Drug info:

PubChemData

Smile

CO/C(=C(/C=C/CC1=CC=CC=C1)\[N+]#N)/O

DOS

IR

Vibrations