Geometry & MOs

Info

ID:	294599
PubChem CID:	117473163
Reduced:	NSO6H7C12 (1)
Stoich.:	ABC6D7E12 (1)
Weight, g/mol:	293.089937
ΔH_f, kcal/mol:	-134.12
Dipole, Da:	0.91
IP(EA), eV:	-9.59(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2,3-dimethoxy-6-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1)C3=CC(=NO3)C(=O)O)SC(=O)O2

DOS

IR

Vibrations