Geometry & MOs

Info

ID:	328958
PubChem CID:	126729586
Reduced:	O2F3N4H19C23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	521.137556
ΔH_f, kcal/mol:	-107.93
Dipole, Da:	6.29
IP(EA), eV:	-8.23(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-anthracen-2-ylethynyl)pyridin-2-yl]-6-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)C3=CC(=NC=C3)C4=NNC(=C4)C(F)(F)F

DOS

IR

Vibrations