Geometry & MOs

Info

ID:	14343
PubChem CID:	409855
Reduced:	ClNOC15H16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	261.092042
ΔH_f, kcal/mol:	-3.2
Dipole, Da:	2.6
IP(EA), eV:	-8.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-(2,4-dimethyl-2H-pyridin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1C=C(C=CN1CC(=O)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations