Geometry & MOs

Info

ID:	153044
PubChem CID:	56312163
Reduced:	ClO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	3.7
Dipole, Da:	8.6
IP(EA), eV:	-9.09(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NN=C(O3)C4=CC=CC=C4Cl

DOS

IR

Vibrations