Geometry & MOs

Info

ID:	266709
PubChem CID:	103579150
Reduced:	BrFNOH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	211.040006
ΔH_f, kcal/mol:	-21.09
Dipole, Da:	3.55
IP(EA), eV:	-9.85(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations