Geometry & MOs

Info

ID:	180891
PubChem CID:	76699970
Reduced:	OF6C38H48 (1)
Stoich.:	AB6C38D48 (1)
Weight, g/mol:	563.310769
ΔH_f, kcal/mol:	-360.9
Dipole, Da:	4.53
IP(EA), eV:	-9.22(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dibenzyl-9-[6-(hydroxyamino)hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC(=C(C=C2)C3CCC(CC3)C4CCC(CC4)C(OC5=CC(=C(C=C5)C(=CF)F)F)(F)F)F

DOS

IR

Vibrations