Geometry & MOs

Info

ID:	22705
PubChem CID:	598389
Reduced:	ON2H6C10 (1)
Stoich.:	AB2C6D10 (1)
Weight, g/mol:	170.048013
ΔH_f, kcal/mol:	77.54
Dipole, Da:	7.35
IP(EA), eV:	-9.39(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxidoisoquinolin-2-ium-1-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C[N+](=C2C#N)[O-]

DOS

IR

Vibrations