Geometry & MOs

Info

ID:	378011
PubChem CID:	134224079
Reduced:	BrNOH14C18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	720.288912
ΔH_f, kcal/mol:	46.29
Dipole, Da:	3.86
IP(EA), eV:	-8.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-phenylmethoxy-3,5-bis(3-pyridin-3-ylphenyl)phenyl]-6-(3-pyridin-3-ylphenyl)pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC=C2C3=NC=C(C=C3)Br

DOS

IR

Vibrations