Geometry & MOs

Info

ID:	152711
PubChem CID:	56311763
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	445.176834
ΔH_f, kcal/mol:	-38.05
Dipole, Da:	2.74
IP(EA), eV:	-9.04(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCC3(CC3)C4=CC=CC=C4

DOS

IR

Vibrations