Geometry & MOs

Info

ID:	430500
PubChem CID:	135170564
Reduced:	F3N4H7C9 (1)
Stoich.:	A3B4C7D9 (1)
Weight, g/mol:	153.126598
ΔH_f, kcal/mol:	-70.33
Dipole, Da:	2.29
IP(EA), eV:	-10.18(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1,5-dimethyl-1,2,4-triazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations