Geometry & MOs

Info

ID:	293424
PubChem CID:	117388387
Reduced:	O3C6H7 (2)
Stoich.:	A3B6C7 (2)
Weight, g/mol:	254.069142
ΔH_f, kcal/mol:	-223.9
Dipole, Da:	3.52
IP(EA), eV:	-8.75(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylisoquinolin-7-yl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)OCOC2)C(C(=O)OC)O

DOS

IR

Vibrations