Geometry & MOs

Info

ID:	151822
PubChem CID:	56310635
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	415.166269
ΔH_f, kcal/mol:	-99.86
Dipole, Da:	2.69
IP(EA), eV:	-9.04(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3CCCCCC3

DOS

IR

Vibrations