Geometry & MOs

Info

ID:	294796
PubChem CID:	117496425
Reduced:	ClNO5C14H14 (1)
Stoich.:	ABC5D14E14 (1)
Weight, g/mol:	310.97932
ΔH_f, kcal/mol:	-126.57
Dipole, Da:	7.63
IP(EA), eV:	-9.07(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1OC)Cl)OC)C2=CC(=NO2)C(=O)O

DOS

IR

Vibrations