Geometry & MOs

Info

ID:	336745
PubChem CID:	127255752
Reduced:	NO4H7C9 (1)
Stoich.:	AB4C7D9 (1)
Weight, g/mol:	193.037508
ΔH_f, kcal/mol:	-60.61
Dipole, Da:	7.47
IP(EA), eV:	-10.06(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-7-nitro-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C(=CC(=C2)[N+](=O)[O-])O

DOS

IR

Vibrations