Geometry & MOs

Info

ID:	156327
PubChem CID:	56370095
Reduced:	O2F3N3H22C23 (1)
Stoich.:	A2B3C3D22E23 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-167.03
Dipole, Da:	2.99
IP(EA), eV:	-9.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethoxyphenyl)methyl]-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1C2=CC=CC=C2)C(=O)NCC3=CN=C(C=C3)OCC(F)(F)F

DOS

IR

Vibrations