Geometry & MOs

Info

ID:	277043
PubChem CID:	103826404
Reduced:	BrClNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	372.02402
ΔH_f, kcal/mol:	-78.52
Dipole, Da:	5.01
IP(EA), eV:	-9.87(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C1=CC(=CC(=C1)Br)Cl

DOS

IR

Vibrations