Geometry & MOs

Info

ID:	229465
PubChem CID:	87567732
Reduced:	SF3N3O5C17H22 (1)
Stoich.:	AB3C3D5E17F22 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-324.9
Dipole, Da:	3.86
IP(EA), eV:	-9.1(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methoxy-1,1-dimethylindol-1-ium-2-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C=C(C=N1)/C=C\2/CNCCC2SC(=O)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations