Geometry & MOs

Info

ID:	285568
PubChem CID:	104113611
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	239.036462
ΔH_f, kcal/mol:	-77.44
Dipole, Da:	3.22
IP(EA), eV:	-8.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1NC2=NC(=CO2)C(=O)OCC

DOS

IR

Vibrations