Geometry & MOs

Info

ID:	337174
PubChem CID:	127256739
Reduced:	O5H10C17 (2)
Stoich.:	A5B10C17 (2)
Weight, g/mol:	323.945626
ΔH_f, kcal/mol:	-263.82
Dipole, Da:	2.27
IP(EA), eV:	-9.05(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5,5,6-tetrachloro-6-methoxy-3-phenylcyclohexa-1,3-diene

Drug info:

PubChemData

Smile

C1C2=CC3=C(C=C2C(=O)O1)C4(C5=C(C6(C(C=C5)O)C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC9=C4C=CC(=C9)O)OC3=O

DOS

IR

Vibrations