Geometry & MOs

Info

ID:	152722
PubChem CID:	56311779
Reduced:	F2O3N4C23H26 (1)
Stoich.:	A2B3C4D23E26 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-186.96
Dipole, Da:	6.54
IP(EA), eV:	-9.08(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methylphenoxy)ethyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCC(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations