Geometry & MOs

Info

ID:	251728
PubChem CID:	103106352
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	303.125277
ΔH_f, kcal/mol:	-72.76
Dipole, Da:	4.92
IP(EA), eV:	-10.1(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-tert-butyl-1-(2-methylsulfonylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(C)C)C(C)(C)C

DOS

IR

Vibrations