Geometry & MOs

Info

ID:	52082
PubChem CID:	12014865
Reduced:	NOH6C8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	265.097703
ΔH_f, kcal/mol:	-0.8
Dipole, Da:	8.01
IP(EA), eV:	-9.4(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-hydroxy-1,3-diphenylpyrimidin-1-ium-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=[N+](C(=CC2=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations