Geometry & MOs

Info

ID:	337178
PubChem CID:	127256743
Reduced:	ON2Cl4H8C12 (1)
Stoich.:	AB2C4D8E12 (1)
Weight, g/mol:	289.966813
ΔH_f, kcal/mol:	61.75
Dipole, Da:	3.43
IP(EA), eV:	-9.62(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,6-trichloro-4-phenylcyclohexa-2,4-diene-1,1-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N=[N+](C2=CC(C(C=C2)(Cl)Cl)(Cl)Cl)[O-]

DOS

IR

Vibrations