Geometry & MOs

Info

ID:	8249
PubChem CID:	75636
Reduced:	NO3C6H7 (1)
Stoich.:	AB3C6D7 (1)
Weight, g/mol:	141.042593
ΔH_f, kcal/mol:	-81.25
Dipole, Da:	3.69
IP(EA), eV:	-10.87(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)O

DOS

IR

Vibrations