Geometry & MOs

Info

ID:

15038

PubChem CID:

427845

Reduced:

N2O2C16H25 (1)

Stoich.:

A2B2C16D25 (1)

Weight, g/mol:

277.191603

ΔHf, kcal/mol:

-25.55

Dipole, Da:

3.65

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.885441

Charge, e:

 1

Chem-info

IUPAC name:

benzyl(triethyl)azanium;2-cyanoacetic acid

Drug info:

PubChemData

Smile

CC[N+](CC)(CC)CC1=CC=CC=C1.C(C#N)C(=O)O

DOS

IR

Vibrations