Geometry & MOs

Info

ID:	5093
PubChem CID:	12577
Reduced:	NH3C5O5 (1)
Stoich.:	AB3C5D5 (1)
Weight, g/mol:	157.001122
ΔH_f, kcal/mol:	-79.27
Dipole, Da:	2.37
IP(EA), eV:	-11.32(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitrofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations