Geometry & MOs

Info

ID:	336744
PubChem CID:	127255751
Reduced:	NO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	193.037508
ΔH_f, kcal/mol:	-74.49
Dipole, Da:	2.62
IP(EA), eV:	-8.92(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-6-nitro-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C=C(C=C2N)O

DOS

IR

Vibrations