Geometry & MOs

Info

ID:	266756
PubChem CID:	103579302
Reduced:	ON3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	208.121178
ΔH_f, kcal/mol:	33.73
Dipole, Da:	5.65
IP(EA), eV:	-9.92(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-pent-1-yn-3-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CNN=C1

DOS

IR

Vibrations