Geometry & MOs

Info

ID:	152136
PubChem CID:	56311001
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	-89.56
Dipole, Da:	6.37
IP(EA), eV:	-8.58(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[benzyl-[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCCC4=C3C=CC(=C4)OC

DOS

IR

Vibrations