Geometry & MOs

Info

ID:	205645
PubChem CID:	80132186
Reduced:	BrF2N2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	341.03392
ΔH_f, kcal/mol:	-42.05
Dipole, Da:	4.29
IP(EA), eV:	-9.77(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2,6-difluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(C1=CC=NC=C1)C(C2=C(C=C(C=C2F)Br)F)N

DOS

IR

Vibrations