Geometry & MOs

Info

ID:	139907
PubChem CID:	52616691
Reduced:	ClFON3H19C21 (1)
Stoich.:	ABCD3E19F21 (1)
Weight, g/mol:	441.250181
ΔH_f, kcal/mol:	-28.85
Dipole, Da:	7.25
IP(EA), eV:	-8.87(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3,4-dimethoxy-N-[2-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CNC3=C2C=CC(=C3)F)CC(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations