Geometry & MOs

Info

ID:	1053
PubChem CID:	3720
Reduced:	NO2H5C7 (6)
Stoich.:	AB2C5D7 (6)
Weight, g/mol:	810.19217
ΔH_f, kcal/mol:	-264.13
Dipole, Da:	5.96
IP(EA), eV:	-10.51(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)OC2C(C(C(C(C2OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6)OC(=O)C7=CN=CC=C7

DOS

IR

Vibrations