Geometry & MOs

Info

ID:	266744
PubChem CID:	103579262
Reduced:	ClNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	254.98949
ΔH_f, kcal/mol:	17.26
Dipole, Da:	3.37
IP(EA), eV:	-9.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-pent-1-yn-3-ylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations