Geometry & MOs

Info

ID:	426477
PubChem CID:	135144407
Reduced:	FON3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	417.289246
ΔH_f, kcal/mol:	-4.1
Dipole, Da:	2.04
IP(EA), eV:	-8.48(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4-[methyl(piperidin-1-ylmethyl)amino]benzonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)CC3=C(C=CC(=C3)F)C#N

DOS

IR

Vibrations