Geometry & MOs

Info

ID:	267745
PubChem CID:	103587455
Reduced:	BrNOF2C10H10 (1)
Stoich.:	ABCD2E10F10 (1)
Weight, g/mol:	271.068781
ΔH_f, kcal/mol:	-134.43
Dipole, Da:	2.58
IP(EA), eV:	-9.56(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(2,5-difluoro-4-methylphenyl)-5-propyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)CC(C(=O)N)Br)F

DOS

IR

Vibrations