Geometry & MOs

Info

ID:	409918
PubChem CID:	135082705
Reduced:	O2N3H13C19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	316.108602
ΔH_f, kcal/mol:	26.16
Dipole, Da:	5.68
IP(EA), eV:	-9.12(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=NC(=C(C2=O)[N+]3=CC4=CC=CC=C4C=C3)[O-]

DOS

IR

Vibrations