Geometry & MOs

Info

ID:	252546
PubChem CID:	103112171
Reduced:	N3O4C13H21 (1)
Stoich.:	A3B4C13D21 (1)
Weight, g/mol:	305.104542
ΔH_f, kcal/mol:	-130.47
Dipole, Da:	4.58
IP(EA), eV:	-9.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 5-methyl-1-(3-methylsulfonylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2CCOCC2)C(=O)OCCOC

DOS

IR

Vibrations