Geometry & MOs

Info

ID:	13400
PubChem CID:	228959
Reduced:	NO3Cl6H7C15 (1)
Stoich.:	AB3C6D7E15 (1)
Weight, g/mol:	460.852759
ΔH_f, kcal/mol:	-60.99
Dipole, Da:	1.72
IP(EA), eV:	-8.91(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,7,8,9,10,10-hexachloro-4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C(=O)C3C(C2=O)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)O

DOS

IR

Vibrations