Geometry & MOs

Info

ID:	152841
PubChem CID:	56311918
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	411.232205
ΔH_f, kcal/mol:	-15.4
Dipole, Da:	2.16
IP(EA), eV:	-8.61(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C

DOS

IR

Vibrations