Geometry & MOs

Info

ID:	151829
PubChem CID:	56310642
Reduced:	ClN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-96.66
Dipole, Da:	4.87
IP(EA), eV:	-8.74(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC(=CC4=C3OCOC4)Cl

DOS

IR

Vibrations