Geometry & MOs

Info

ID:	402596
PubChem CID:	135056501
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	225.115364
ΔH_f, kcal/mol:	-17.63
Dipole, Da:	1.31
IP(EA), eV:	-9.07(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-methylphenyl)-1-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium

Drug info:

PubChemData

Smile

CCC[C@@H]1C=CO[C@H]1C2=CC=CC=C2

DOS

IR

Vibrations