Geometry & MOs

Info

ID:	333430
PubChem CID:	127251982
Reduced:	ON3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	400.215078
ΔH_f, kcal/mol:	-2.68
Dipole, Da:	2.96
IP(EA), eV:	-9.13(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6-benzylpyridin-3-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1CCCCC1C2=CN=C(C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations