Geometry & MOs

Info

ID:	159900
PubChem CID:	57288870
Reduced:	IN2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	212.071154
ΔH_f, kcal/mol:	50.4
Dipole, Da:	4.58
IP(EA), eV:	-9.22(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-oxo-1,9-dihydrophenanthridin-5-ium-10-one

Drug info:

PubChemData

Smile

CCCCC1=C(C=CC=C1I)C2=NC=CN2C

DOS

IR

Vibrations