Geometry & MOs

Info

ID:	266689
PubChem CID:	103579102
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	222.055991
ΔH_f, kcal/mol:	5.66
Dipole, Da:	3.53
IP(EA), eV:	-9.54(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations