Geometry & MOs

Info

ID:	961
PubChem CID:	3588
Reduced:	N3O6C28H31 (1)
Stoich.:	A3B6C28D31 (1)
Weight, g/mol:	505.221286
ΔH_f, kcal/mol:	-175.26
Dipole, Da:	3.87
IP(EA), eV:	-10.5(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(pyridine-3-carbonyloxymethyl)octyl pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC(COC(=O)C1=CN=CC=C1)(COC(=O)C2=CN=CC=C2)COC(=O)C3=CN=CC=C3

DOS

IR

Vibrations