Geometry & MOs

Info

ID:	251592
PubChem CID:	103105150
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	-66.82
Dipole, Da:	6.29
IP(EA), eV:	-9.31(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-(oxan-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CN2C(=C(N=N2)C(=O)OCC)C

DOS

IR

Vibrations