Geometry & MOs

Info

ID:	285575
PubChem CID:	104113908
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	253.052112
ΔH_f, kcal/mol:	-111.99
Dipole, Da:	3.37
IP(EA), eV:	-8.5(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC2=NC(=CO2)C(=O)OCC

DOS

IR

Vibrations