Geometry & MOs

Info

ID:

57184

PubChem CID:

22395441

Reduced:

O3H7C9 (1)

Stoich.:

A3B7C9 (1)

Weight, g/mol:

292.157563

ΔHf, kcal/mol:

-65.61

Dipole, Da:

3.54

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.097238

Charge, e:

 0

Chem-info

IUPAC name:

2,6-dimethyl-N-(1-phenylethyl)-5-prop-1-ynylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C(\C(=O)[O-])/O

DOS

IR

Vibrations