Geometry & MOs

Info

ID:	266722
PubChem CID:	103579208
Reduced:	BrNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	260.97819
ΔH_f, kcal/mol:	7.7
Dipole, Da:	2.79
IP(EA), eV:	-9.64(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-pent-1-yn-3-ylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)CC1=CC=C(C=C1)Br

DOS

IR

Vibrations