Geometry & MOs

Info

ID:	193452
PubChem CID:	78396867
Reduced:	FO4C12H12 (1)
Stoich.:	AB4C12D12 (1)
Weight, g/mol:	371.087926
ΔH_f, kcal/mol:	-146.13
Dipole, Da:	7.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.783974
Charge, e:	-1

Chem-info

IUPAC name:

2-[(5,6-dimethoxy-2-oxo-1H-indol-3-ylidene)methyl]-4-methoxy-6-nitrophenolate

Drug info:

PubChemData

Smile

C1CC2C(CC1F)C(=O)C(=CO2)C=CC(=O)[O-]

DOS

IR

Vibrations