Geometry & MOs

Info

ID:	252531
PubChem CID:	103112041
Reduced:	SO3N4C11H14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-35.07
Dipole, Da:	4.09
IP(EA), eV:	-9.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 5-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=NC=CS2)C(=O)OCCOC

DOS

IR

Vibrations