Geometry & MOs

Info

ID:	85216
PubChem CID:	49872492
Reduced:	I2N2O6C31H36 (1)
Stoich.:	A2B2C6D31E36 (1)
Weight, g/mol:	616.101536
ΔH_f, kcal/mol:	-194.93
Dipole, Da:	2.71
IP(EA), eV:	-8.66(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-bis(2-acetyl-4-chloro-1,3-benzodioxole-5-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

CC1C(OC2=C(O1)C=C(C(=C2)I)C(=O)N3CC4(CC(C3)(CN(C4)C(=O)C5=CC6=C(C=C5I)OC(C(O6)C)C)C)C)C

DOS

IR

Vibrations