Geometry & MOs

Info

ID:

14363

PubChem CID:

410188

Reduced:

NOC14H14 (1)

Stoich.:

ABC14D14 (1)

Weight, g/mol:

212.107539

ΔHf, kcal/mol:

19.2

Dipole, Da:

2.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.081156

Charge, e:

 1

Chem-info

IUPAC name:

2-(4-methylpyridin-1-ium-1-yl)-1-phenylethanone

Drug info:

PubChemData

Smile

CC1=CC=[N+](C=C1)CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations