Geometry & MOs

Info

ID:	252427
PubChem CID:	103111289
Reduced:	O3N5C12H19 (1)
Stoich.:	A3B5C12D19 (1)
Weight, g/mol:	267.078996
ΔH_f, kcal/mol:	-62.16
Dipole, Da:	1.72
IP(EA), eV:	-9.97(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C(C)C(=O)NC2CC2)CN

DOS

IR

Vibrations