Geometry & MOs

Info

ID:	163676
PubChem CID:	58106643
Reduced:	FN3O3H30C46 (1)
Stoich.:	AB3C3D30E46 (1)
Weight, g/mol:	583.22712
ΔH_f, kcal/mol:	84.62
Dipole, Da:	2.05
IP(EA), eV:	-8.68(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-[fluoro-bis[6-[(2-hydroxyphenyl)methyl]pyridin-2-yl]methyl]pyridin-2-yl]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OC3=CC=CC(=N3)C(C4=NC(=CC=C4)OC5=CC=CC6=CC=CC=C65)(C7=NC(=CC=C7)OC8=CC=CC9=CC=CC=C98)F

DOS

IR

Vibrations