Geometry & MOs

Info

ID:	12976
PubChem CID:	219451
Reduced:	ClNOH10C14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	243.045092
ΔH_f, kcal/mol:	31.57
Dipole, Da:	3.97
IP(EA), eV:	-9.78(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C=CC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations