Geometry & MOs

Info

ID:	375357
PubChem CID:	131500072
Reduced:	NO5C9H9 (1)
Stoich.:	AB5C9D9 (1)
Weight, g/mol:	221.032422
ΔH_f, kcal/mol:	-99.22
Dipole, Da:	3.12
IP(EA), eV:	-9.42(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-nitro-1-benzofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1O)[N+](=O)[O-])OC

DOS

IR

Vibrations