Geometry & MOs

Info

ID:	388663
PubChem CID:	134989782
Reduced:	ON2H3C4 (2)
Stoich.:	AB2C3D4 (2)
Weight, g/mol:	236.174945
ΔH_f, kcal/mol:	94.14
Dipole, Da:	5.47
IP(EA), eV:	-9.02(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-azido-2,2-dimethylpropyl)-5-tert-butyl-2H-triazole

Drug info:

PubChemData

Smile

C1=CN=CC=C1C2=N/C(=C/N=O)/ON2

DOS

IR

Vibrations