Geometry & MOs

Info

ID:	412508
PubChem CID:	135085403
Reduced:	IO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	215.098452
ΔH_f, kcal/mol:	-51.08
Dipole, Da:	3.33
IP(EA), eV:	-9.43(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-fluoro-1,6-dimethyl-9H-pyrido[2,3-b]indol-1-ium

Drug info:

PubChemData

Smile

CC(=O)OCC1(C=CCC=C1)CC/C=C\I

DOS

IR

Vibrations