Geometry & MOs

Info

ID:	61208
PubChem CID:	26707084
Reduced:	FN4O4C22H23 (1)
Stoich.:	AB4C4D22E23 (1)
Weight, g/mol:	467.06113
ΔH_f, kcal/mol:	-118.02
Dipole, Da:	3.47
IP(EA), eV:	-8.73(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)F

DOS

IR

Vibrations