Geometry & MOs

Info

ID:	449089
PubChem CID:	135295947
Reduced:	ON3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	191.142248
ΔH_f, kcal/mol:	-39.68
Dipole, Da:	2.87
IP(EA), eV:	-9.9(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-5-(2-methylbut-3-yn-2-yl)-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(CC1=NC(=NN1)C(C)(C)C)O

DOS

IR

Vibrations