Geometry & MOs

Info

ID:	167889
PubChem CID:	74891321
Reduced:	BrNSC7H8 (1)
Stoich.:	ABCD7E8 (1)
Weight, g/mol:	139.023355
ΔH_f, kcal/mol:	28.86
Dipole, Da:	2.74
IP(EA), eV:	-8.52(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethynyl-2,5-difluoropyridine

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)SC)Br

DOS

IR

Vibrations