Geometry & MOs

Info

ID:	139743
PubChem CID:	52587857
Reduced:	ClIN2O2C18H18 (1)
Stoich.:	ABC2D2E18F18 (1)
Weight, g/mol:	420.01015
ΔH_f, kcal/mol:	-47.68
Dipole, Da:	3.88
IP(EA), eV:	-9.03(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chloro-3-iodobenzoyl)piperazin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)I)C

DOS

IR

Vibrations