Geometry & MOs

Info

ID:	318182
PubChem CID:	126649439
Reduced:	BrNO2C6H6 (1)
Stoich.:	ABC2D6E6 (1)
Weight, g/mol:	279.053158
ΔH_f, kcal/mol:	-7.83
Dipole, Da:	4.67
IP(EA), eV:	-10.23(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyano-1-benzofuran-7-yl) 2-hydroxybenzoate

Drug info:

PubChemData

Smile

C1CC1(C#CBr)NC(=O)O

DOS

IR

Vibrations