Geometry & MOs

Info

ID:	333427
PubChem CID:	127251979
Reduced:	O2N3C24H25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	391.14514
ΔH_f, kcal/mol:	-4.38
Dipole, Da:	6.1
IP(EA), eV:	-8.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(2-chlorophenyl)methyl]pyridin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NC=C(C=C2)C3CCCCN3C(=O)C4=CN=CC=C4

DOS

IR

Vibrations