Geometry & MOs

Info

ID:	328963
PubChem CID:	126729628
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	513.132471
ΔH_f, kcal/mol:	-92.24
Dipole, Da:	6.75
IP(EA), eV:	-8.84(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-carboxypyridin-2-yl)-6-[4-[(E)-2-dibenzofuran-2-ylethenyl]pyridin-2-yl]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)NCC3=C(C(=O)C=C(N3)CO)O)C(=O)N

DOS

IR

Vibrations