Geometry & MOs

Info

ID:	138980
PubChem CID:	52453776
Reduced:	FN4O4C18H23 (1)
Stoich.:	AB4C4D18E23 (1)
Weight, g/mol:	388.10245
ΔH_f, kcal/mol:	-211.15
Dipole, Da:	3.81
IP(EA), eV:	-9.54(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-bromophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CN2C(=O)C(NC2=O)(C)C

DOS

IR

Vibrations