Geometry & MOs

Info

ID:	62750
PubChem CID:	26736613
Reduced:	ON5C21H24 (1)
Stoich.:	AB5C21D24 (1)
Weight, g/mol:	364.098343
ΔH_f, kcal/mol:	69.23
Dipole, Da:	3.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.127066
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpiperidin-1-ium-4-yl)-2,6-dichloropyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1C[NH+](CCC1NC(=O)C2=CC=C(C=C2)N3C=NC=N3)CC4=CC=CC=C4

DOS

IR

Vibrations