Geometry & MOs

Info

ID:	15159
PubChem CID:	431411
Reduced:	NOH34C47 (1)
Stoich.:	ABC34D47 (1)
Weight, g/mol:	628.26404
ΔH_f, kcal/mol:	160.48
Dipole, Da:	2.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.434933
Charge, e:	1

Chem-info

IUPAC name:

4-[2,6-diphenyl-4-(4-phenylphenyl)pyridin-1-ium-1-yl]-2,6-diphenylphenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=[N+](C(=C3)C4=CC=CC=C4)C5=CC(=C(C(=C5)C6=CC=CC=C6)O)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations