Geometry & MOs

Info

ID:	13366
PubChem CID:	227721
Reduced:	ClNO4C20H30 (1)
Stoich.:	ABC4D20E30 (1)
Weight, g/mol:	383.186336
ΔH_f, kcal/mol:	-177.09
Dipole, Da:	2.22
IP(EA), eV:	-9.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[3-(2-hexoxyethoxy)propyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

CCCCCCOCCOCCCN1C(=O)C2C3CC(C2(C1=O)Cl)C=C3

DOS

IR

Vibrations