Geometry & MOs

Info

ID:	294600
PubChem CID:	117473172
Reduced:	NO6C14H15 (1)
Stoich.:	AB6C14D15 (1)
Weight, g/mol:	293.089937
ΔH_f, kcal/mol:	-146.23
Dipole, Da:	4.62
IP(EA), eV:	-8.94(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COCC1=C(C(=C(C=C1)OC)OC)C2=CC(=NO2)C(=O)O

DOS

IR

Vibrations