Geometry & MOs

Info

ID:	159360
PubChem CID:	57269683
Reduced:	SN2H10C11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	252.078644
ΔH_f, kcal/mol:	68.96
Dipole, Da:	0.63
IP(EA), eV:	-8.68(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-methyl-1-benzofuran-3-yl)benzoic acid

Drug info:

PubChemData

Smile

CSC1=C(N=CC=C1)C2=CC=CC=N2

DOS

IR

Vibrations