Geometry & MOs

Info

ID:	295069
PubChem CID:	117514758
Reduced:	BrNO5H10C13 (1)
Stoich.:	ABC5D10E13 (1)
Weight, g/mol:	338.97424
ΔH_f, kcal/mol:	-105.95
Dipole, Da:	4.9
IP(EA), eV:	-9.15(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1C3=NOC(=C3)C(=O)O)OCCO2)Br

DOS

IR

Vibrations