Geometry & MOs

Info

ID:	9221
PubChem CID:	87215
Reduced:	NOH22C29 (1)
Stoich.:	ABC22D29 (1)
Weight, g/mol:	400.170139
ΔH_f, kcal/mol:	94.49
Dipole, Da:	1.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.674329
Charge, e:	1

Chem-info

IUPAC name:

4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)O)C5=CC=CC=C5

DOS

IR

Vibrations