Geometry & MOs

Info

ID:	68558
PubChem CID:	46508643
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	470.268176
ΔH_f, kcal/mol:	-48.87
Dipole, Da:	5.43
IP(EA), eV:	-8.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[methyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)CC(=O)NCC3=CC=CO3

DOS

IR

Vibrations