Geometry & MOs

Info

ID:	426793
PubChem CID:	135153894
Reduced:	BrNO4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	347.99972
ΔH_f, kcal/mol:	-120.08
Dipole, Da:	1.9
IP(EA), eV:	-8.54(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=C(OC3=C2C=C(C=C3)Br)CCC(=O)N4CCC(CC4)O

DOS

IR

Vibrations