Geometry & MOs

Info

ID:	266674
PubChem CID:	103578895
Reduced:	NOF3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	222.055991
ΔH_f, kcal/mol:	-200.45
Dipole, Da:	6.13
IP(EA), eV:	-10.07(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-pent-1-yn-3-ylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1CCCC(C1)C(F)(F)F

DOS

IR

Vibrations