Geometry & MOs

Info

ID:	252629
PubChem CID:	103112792
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-110.36
Dipole, Da:	3.54
IP(EA), eV:	-9.96(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2CCOCC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations