Geometry & MOs

Info

ID:	8012
PubChem CID:	74742
Reduced:	O2Cl6H6C13 (1)
Stoich.:	A2B6C6D13 (1)
Weight, g/mol:	405.846945
ΔH_f, kcal/mol:	-90.92
Dipole, Da:	2.23
IP(EA), eV:	-9.26(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4-trichloro-6-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1Cl)Cl)Cl)O)CC2=C(C(=CC(=C2Cl)Cl)Cl)O

DOS

IR

Vibrations