Geometry & MOs

Info

ID:	164764
PubChem CID:	74449280
Reduced:	N2O3C25H35 (1)
Stoich.:	A2B3C25D35 (1)
Weight, g/mol:	405.286566
ΔH_f, kcal/mol:	-67.21
Dipole, Da:	3.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753690
Charge, e:	1

Chem-info

IUPAC name:

1-(1-cyclopentyl-6-oxopiperidine-3-carbonyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations