Geometry & MOs

Info

ID:	266772
PubChem CID:	103579350
Reduced:	INOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	193.056135
ΔH_f, kcal/mol:	32.27
Dipole, Da:	3.74
IP(EA), eV:	-9.69(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-ylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CC=CC=C1I

DOS

IR

Vibrations