Geometry & MOs

Info

ID:	206245
PubChem CID:	80223099
Reduced:	ClNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	265.006119
ΔH_f, kcal/mol:	-34.49
Dipole, Da:	1.45
IP(EA), eV:	-10.13(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-1-(5-chloropyridin-2-yl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations