Geometry & MOs

Info

ID:	9220
PubChem CID:	87214
Reduced:	NOH21C29 (1)
Stoich.:	ABC21D29 (1)
Weight, g/mol:	399.162314
ΔH_f, kcal/mol:	114.46
Dipole, Da:	13.02
IP(EA), eV:	-7.44(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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