Geometry & MOs

Info

ID:	151076
PubChem CID:	53790773
Reduced:	OC6H8 (4)
Stoich.:	AB6C8 (4)
Weight, g/mol:	620.384849
ΔH_f, kcal/mol:	-155.71
Dipole, Da:	1.99
IP(EA), eV:	-8.62(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane

Drug info:

PubChemData

Smile

CCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCCC

DOS

IR

Vibrations