Geometry & MOs

Info

ID:	333415
PubChem CID:	127251967
Reduced:	ON3C24H27 (1)
Stoich.:	AB3C24D27 (1)
Weight, g/mol:	357.220498
ΔH_f, kcal/mol:	33.74
Dipole, Da:	1.67
IP(EA), eV:	-8.7(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylphenyl)methyl]-5-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NC=C(C=C2)C3CCCCN3CC4=CC=NC=C4

DOS

IR

Vibrations