Geometry & MOs

Info

ID:	251604
PubChem CID:	103105242
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	-57.18
Dipole, Da:	4.31
IP(EA), eV:	-9.94(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC=CO2)C(C)C

DOS

IR

Vibrations