Geometry & MOs

Info

ID:	356058
PubChem CID:	127291094
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	337.236542
ΔH_f, kcal/mol:	-71.45
Dipole, Da:	4.59
IP(EA), eV:	-9.18(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylpiperidine-1-carbonyl)-N-(oxan-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations