Geometry & MOs

Info

ID:	279193
PubChem CID:	103841965
Reduced:	BrCl2N2O2H9C14 (1)
Stoich.:	AB2C2D2E9F14 (1)
Weight, g/mol:	359.04
ΔH_f, kcal/mol:	-45.74
Dipole, Da:	4.24
IP(EA), eV:	-9.61(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)C(=O)N)Cl)Br)Cl

DOS

IR

Vibrations