Geometry & MOs

Info

ID:

27363

PubChem CID:

820925

Reduced:

ON2C12H13 (1)

Stoich.:

AB2C12D13 (1)

Weight, g/mol:

209.095297

ΔHf, kcal/mol:

-3.6

Dipole, Da:

3.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.976029

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-methyl-4-phenylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=[N+]2C(=C1C)C(=O)N

DOS

IR

Vibrations