Geometry & MOs

Info

ID:	126460
PubChem CID:	50965616
Reduced:	ON6C20H24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	277.157898
ΔH_f, kcal/mol:	75.63
Dipole, Da:	8.82
IP(EA), eV:	-8.81(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

CN1C=NN=C1CC2CCN(CC2)CC3=CC(=CC=C3)OC4=NC=CC=N4

DOS

IR

Vibrations