Geometry & MOs

Info

ID:	409914
PubChem CID:	135082701
Reduced:	O2N3H11C14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	254.092952
ΔH_f, kcal/mol:	-4.46
Dipole, Da:	5.42
IP(EA), eV:	-9.07(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-hydroxy-5-isoquinolin-2-ium-2-yl-1-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C=NC(=C(C1=O)[N+]2=CC3=CC=CC=C3C=C2)[O-]

DOS

IR

Vibrations