Geometry & MOs

Info

ID:	8075
PubChem CID:	74890
Reduced:	NCl2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	245.001034
ΔH_f, kcal/mol:	-86.23
Dipole, Da:	1.8
IP(EA), eV:	-9.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-3-oxobutanamide

Drug info:

PubChemData

Smile

CC(=O)CC(=O)NC1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations