Geometry & MOs

Info

ID:	318164
PubChem CID:	126649255
Reduced:	BrC5O5H13 (1)
Stoich.:	AB5C5D13 (1)
Weight, g/mol:	315.029835
ΔH_f, kcal/mol:	-256.15
Dipole, Da:	2.16
IP(EA), eV:	-10.42(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chloro-6-cyano-1-benzofuran-4-yl)-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

C(C(C(C(CO)O)O)O)O.Br

DOS

IR

Vibrations