Geometry & MOs

Info

ID:	328632
PubChem CID:	126726136
Reduced:	N3O4H19C33 (1)
Stoich.:	A3B4C19D33 (1)
Weight, g/mol:	527.184506
ΔH_f, kcal/mol:	68.3
Dipole, Da:	3.74
IP(EA), eV:	-8.37(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[4-[2-(6-tert-butylnaphthalen-2-yl)ethynyl]pyridin-2-yl]-4-formyloxypyridin-2-yl]pyridin-4-yl] formate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C#CC4=CC(=NC=C4)C5=NC(=CC(=C5)OC=O)C6=NC=CC(=C6)OC=O

DOS

IR

Vibrations