Geometry & MOs

Info

ID:

322266

PubChem CID:

126669569

Reduced:

NOC9H14 (1)

Stoich.:

ABC9D14 (1)

Weight, g/mol:

272.094963

ΔHf, kcal/mol:

-31.23

Dipole, Da:

1.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.901597

Charge, e:

 0

Chem-info

IUPAC name:

5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C[N+]1=CC=CC(=C1)O

DOS

IR

Vibrations