Geometry & MOs

Info

ID:	23910
PubChem CID:	607065
Reduced:	ON2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	224.094963
ΔH_f, kcal/mol:	40.15
Dipole, Da:	4.59
IP(EA), eV:	-9.92(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylpyridin-3-yl)-3-pyridin-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)C=CC2=CC=CC=N2

DOS

IR

Vibrations