Geometry & MOs

Info

ID:	18707
PubChem CID:	546757
Reduced:	NCl4O4H17C18 (1)
Stoich.:	AB4C4D17E18 (1)
Weight, g/mol:	452.988219
ΔH_f, kcal/mol:	-134.23
Dipole, Da:	1.99
IP(EA), eV:	-9.7(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 11-tert-butyl-3,4,5,6-tetrachloro-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)N1C2C3=C(C1C(=C2C(=O)OC)C(=O)OC)C(=C(C(=C3Cl)Cl)Cl)Cl

DOS

IR

Vibrations