Geometry & MOs

Info

ID:	256225
PubChem CID:	103137851
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-101.97
Dipole, Da:	4.98
IP(EA), eV:	-10.15(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-1-[(5-methyloxolan-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2CCC(O2)C)C(=O)OC

DOS

IR

Vibrations