Geometry & MOs

Info

ID:	336660
PubChem CID:	127255667
Reduced:	NC19H21 (1)
Stoich.:	AB19C21 (1)
Weight, g/mol:	292.04217
ΔH_f, kcal/mol:	110.37
Dipole, Da:	1.22
IP(EA), eV:	-8.78(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-bis(4-chlorophenyl)butan-2-one

Drug info:

PubChemData

Smile

C1C2CC1(C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations