Geometry & MOs

Info

ID:	253013
PubChem CID:	103115475
Reduced:	SO3N4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	281.094646
ΔH_f, kcal/mol:	-64.25
Dipole, Da:	4.34
IP(EA), eV:	-9.55(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-aminoethyl)-5-(2,4-dimethyl-1,3-thiazol-5-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=C(N=NN2CC(C)CO)C(=O)OC

DOS

IR

Vibrations