Geometry & MOs

Info

ID:	85084
PubChem CID:	49871661
Reduced:	FO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	281.068808
ΔH_f, kcal/mol:	-99.61
Dipole, Da:	2.93
IP(EA), eV:	-9.77(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-oxido-3-oxo-2-phenylindol-1-ium-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C)C1=CC=CC=C1F

DOS

IR

Vibrations