Geometry & MOs

Info

ID:	356095
PubChem CID:	127291131
Reduced:	ClN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-120.04
Dipole, Da:	2.84
IP(EA), eV:	-9.38(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)-4-piperidin-1-ylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations