Geometry & MOs

Info

ID:	322750
PubChem CID:	126670981
Reduced:	BrN2F3C7H8 (1)
Stoich.:	AB2C3D7E8 (1)
Weight, g/mol:	224.017497
ΔH_f, kcal/mol:	-126.02
Dipole, Da:	2.1
IP(EA), eV:	-9.55(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-5-ethyl-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

CCC1=NN(C=C1Br)CC(F)(F)F

DOS

IR

Vibrations