Geometry & MOs

Info

ID:	292254
PubChem CID:	114554565
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	283.01204
ΔH_f, kcal/mol:	-19.89
Dipole, Da:	5.35
IP(EA), eV:	-9.13(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-6-fluorophenyl)-4-propyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCNC1CCOC(C1)C2=CC=NN2C

DOS

IR

Vibrations