Geometry & MOs

Info

ID:	970
PubChem CID:	3598
Reduced:	O2Cl6H6C13 (1)
Stoich.:	A2B6C6D13 (1)
Weight, g/mol:	405.846945
ΔH_f, kcal/mol:	-92.24
Dipole, Da:	0.45
IP(EA), eV:	-9.29(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations