Geometry & MOs

Info

ID:	266750
PubChem CID:	103579288
Reduced:	NO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	256.017018
ΔH_f, kcal/mol:	-62.24
Dipole, Da:	3.56
IP(EA), eV:	-9.94(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-pent-1-yn-3-ylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)COCC

DOS

IR

Vibrations