Geometry & MOs

Info

ID:	328599
PubChem CID:	126725892
Reduced:	NH17C24 (1)
Stoich.:	AB17C24 (1)
Weight, g/mol:	513.132471
ΔH_f, kcal/mol:	97.55
Dipole, Da:	2.66
IP(EA), eV:	-8.34(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[4-[(E)-2-dibenzofuran-3-ylethenyl]pyridin-2-yl]-4-formyloxypyridin-2-yl]pyridin-4-yl] formate

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)/C=C/C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

DOS

IR

Vibrations