Geometry & MOs

Info

ID:	152028
PubChem CID:	56310877
Reduced:	ON3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	15.43
Dipole, Da:	3.22
IP(EA), eV:	-9.12(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NN=C4N3C5=CC=CC=C5C(=O)N4C

DOS

IR

Vibrations