Geometry & MOs

Info

ID:	266702
PubChem CID:	103579138
Reduced:	NOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	227.017163
ΔH_f, kcal/mol:	-4.47
Dipole, Da:	3.92
IP(EA), eV:	-9.62(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-pent-1-yn-3-ylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations