Geometry & MOs

Info

ID:	153133
PubChem CID:	56312275
Reduced:	O2N3C26H33 (1)
Stoich.:	A2B3C26D33 (1)
Weight, g/mol:	445.176834
ΔH_f, kcal/mol:	-45.75
Dipole, Da:	6.2
IP(EA), eV:	-9.01(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2CC2)NC(=O)CN3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations