Geometry & MOs

Info

ID:	377838
PubChem CID:	134223903
Reduced:	ON5H23C34 (1)
Stoich.:	AB5C23D34 (1)
Weight, g/mol:	415.168462
ΔH_f, kcal/mol:	226.42
Dipole, Da:	9.8
IP(EA), eV:	-8.1(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-phenylmethoxy-3-pyridin-2-ylphenyl)-2-pyridin-2-ylpyridine

Drug info:

PubChemData

Smile

C=C/1/C=C\C=NCC2=C(/C=C1)C=CC(=N2)C3=C/C(=C\4/C=CC5=C(N4)C6=C(C=CC=N6)C=C5)/C(=O)C7=C3C=CC=N7

DOS

IR

Vibrations