Geometry & MOs

Info

ID:	38159
PubChem CID:	8027540
Reduced:	NO4H12C13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	-98.25
Dipole, Da:	4.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.776884
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC2=C(ON=C2C(=O)[O-])C

DOS

IR

Vibrations