Geometry & MOs

Info

ID:	251596
PubChem CID:	103105175
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	257.119798
ΔH_f, kcal/mol:	-12.64
Dipole, Da:	4.78
IP(EA), eV:	-9.53(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-ethylsulfanylpropyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)CN2C(=C(N=N2)C(=O)OCC)C

DOS

IR

Vibrations