Geometry & MOs

Info

ID:	294527
PubChem CID:	117467415
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	289.077265
ΔH_f, kcal/mol:	-55.73
Dipole, Da:	3.53
IP(EA), eV:	-8.44(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(thian-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC(=NN2)N)OC3CCCOC3

DOS

IR

Vibrations