Geometry & MOs

Info

ID:	251588
PubChem CID:	103105122
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	275.093977
ΔH_f, kcal/mol:	-118.36
Dipole, Da:	1.8
IP(EA), eV:	-10.17(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-(3-methylsulfonylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)C(C)N1C(=C(N=N1)C(=O)OCC)C

DOS

IR

Vibrations