Geometry & MOs

Info

ID:	371654
PubChem CID:	131270021
Reduced:	ON2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	246.980299
ΔH_f, kcal/mol:	-16.47
Dipole, Da:	3.62
IP(EA), eV:	-9.07(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(3-chloro-2-nitrophenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(NC2=C1CC(CC2)O)C#N

DOS

IR

Vibrations