Geometry & MOs

Info

ID:	224809
PubChem CID:	85378579
Reduced:	NO4C18H21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	321.929976
ΔH_f, kcal/mol:	-135.28
Dipole, Da:	2.53
IP(EA), eV:	-8.57(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5,6-tetrachloro-11-methyltricyclo[6.2.2.02,7]dodeca-2(7),3,5,11-tetraen-9-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC)NC(=O)C(=CC=CC(=CC(=O)O)C)C

DOS

IR

Vibrations