Geometry & MOs

Info

ID:	52081
PubChem CID:	12014864
Reduced:	N2H10C21 (2)
Stoich.:	A2B10C21 (2)
Weight, g/mol:	264.089878
ΔH_f, kcal/mol:	439.05
Dipole, Da:	5.17
IP(EA), eV:	-9.33(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-1,3-diphenylpyrimidin-3-ium-4-olate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC4=C5C=C3C6=CC=CC=C6C7=C2C8C(=C(C7C(C8(C#N)C#N)(C#N)C#N)C9=CC=CC=C95)C1=CC=CC=C14

DOS

IR

Vibrations