Geometry & MOs

Info

ID:	1339
PubChem CID:	4197
Reduced:	ON3H9C12 (1)
Stoich.:	AB3C9D12 (1)
Weight, g/mol:	211.074562
ΔH_f, kcal/mol:	34.3
Dipole, Da:	7.12
IP(EA), eV:	-9.71(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2

DOS

IR

Vibrations