Geometry & MOs

Info

ID:

8972

PubChem CID:

84415

Reduced:

N2C15H19 (1)

Stoich.:

A2B15C19 (1)

Weight, g/mol:

227.154824

ΔHf, kcal/mol:

53.5

Dipole, Da:

3.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.953493

Charge, e:

 1

Chem-info

IUPAC name:

N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline

Drug info:

PubChemData

Smile

CCN(CC[N+]1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations