Geometry & MOs

Info

ID:	233716
PubChem CID:	92093050
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	32.61
Dipole, Da:	4.97
IP(EA), eV:	-9.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxypiperidin-1-yl)-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CC1CC(=O)NCC2=C(N=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations