Geometry & MOs

Info

ID:	251584
PubChem CID:	103105068
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-84.6
Dipole, Da:	4.96
IP(EA), eV:	-10.26(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-[(3-methylphenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCN1C(=C(N=N1)C(=O)OCC)C

DOS

IR

Vibrations