Geometry & MOs

Info

ID:	85086
PubChem CID:	49871684
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	281.068808
ΔH_f, kcal/mol:	17.8
Dipole, Da:	3.39
IP(EA), eV:	-8.56(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1-oxido-3-oxoindol-1-ium-2-yl)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3C2=O)[O-]

DOS

IR

Vibrations