Geometry & MOs

Info

ID:	430569
PubChem CID:	135170635
Reduced:	F3N3C14H16 (1)
Stoich.:	A3B3C14D16 (1)
Weight, g/mol:	249.103275
ΔH_f, kcal/mol:	-114.52
Dipole, Da:	4.18
IP(EA), eV:	-9.57(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-1-(3-chlorophenyl)-3-methyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C(C)(C)C)C2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations