Geometry & MOs

Info

ID:	24866
PubChem CID:	614035
Reduced:	NOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	223.099714
ΔH_f, kcal/mol:	29.42
Dipole, Da:	4.97
IP(EA), eV:	-9.61(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylpyridin-3-yl)-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations