Geometry & MOs

Info

ID:	24876
PubChem CID:	614195
Reduced:	ON2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	224.094963
ΔH_f, kcal/mol:	40.07
Dipole, Da:	3.6
IP(EA), eV:	-10.16(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylpyridin-3-yl)-3-pyridin-4-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)C=CC2=CC=NC=C2

DOS

IR

Vibrations