Geometry & MOs

Info

ID:	251574
PubChem CID:	103104989
Reduced:	O3N4C12H18 (1)
Stoich.:	A3B4C12D18 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-73.5
Dipole, Da:	3.66
IP(EA), eV:	-10.04(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-[2-(oxolan-2-yl)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCC(=O)NC2CC2)C

DOS

IR

Vibrations