Geometry & MOs

Info

ID:	195294
PubChem CID:	78670398
Reduced:	ClON3C25H27 (1)
Stoich.:	ABC3D25E27 (1)
Weight, g/mol:	372.184265
ΔH_f, kcal/mol:	42.25
Dipole, Da:	4.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757900
Charge, e:	1

Chem-info

IUPAC name:

N-benzyl-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4Cl

DOS

IR

Vibrations