Geometry & MOs

Info

ID:	153252
PubChem CID:	56312418
Reduced:	N3O4C27H35 (1)
Stoich.:	A3B4C27D35 (1)
Weight, g/mol:	411.232205
ΔH_f, kcal/mol:	-133.69
Dipole, Da:	4.21
IP(EA), eV:	-8.6(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCCC3C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations