Geometry & MOs

Info

ID:	138406
PubChem CID:	52361254
Reduced:	BrN2O4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	400.223631
ΔH_f, kcal/mol:	-162.76
Dipole, Da:	3.43
IP(EA), eV:	-8.44(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3,4,5-trimethoxy-N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H](C1CCCC1)C(=O)NC2=CC3=C(C=C2Br)OCCO3

DOS

IR

Vibrations