Geometry & MOs

Info

ID:	152333
PubChem CID:	56311247
Reduced:	ON2C22H28 (1)
Stoich.:	AB2C22D28 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	-16.53
Dipole, Da:	4.41
IP(EA), eV:	-8.51(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)N2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations