Geometry & MOs

Info

ID:	1328
PubChem CID:	4174
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	226.110613
ΔH_f, kcal/mol:	24.06
Dipole, Da:	5.7
IP(EA), eV:	-9.91(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1,2-dipyridin-3-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2

DOS

IR

Vibrations