Geometry & MOs

Info

ID:	296363
PubChem CID:	117570195
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	231.021769
ΔH_f, kcal/mol:	-111.25
Dipole, Da:	3.92
IP(EA), eV:	-8.73(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dichloroanilino)butan-2-one

Drug info:

PubChemData

Smile

CC(=O)CCNC1=CC=CC(=C1)C(=O)OC

DOS

IR

Vibrations