Geometry & MOs

Info

ID:	203880
PubChem CID:	79887476
Reduced:	ClFOH5C7 (2)
Stoich.:	ABCD5E7 (2)
Weight, g/mol:	294.062299
ΔH_f, kcal/mol:	-140.35
Dipole, Da:	3.22
IP(EA), eV:	-9.4(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-(chloromethyl)-2,6-difluorophenoxy]methyl]bicyclo[4.2.0]octa-1,3,5-triene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1COC2=C(C=C(C=C2F)CO)F)Cl)Cl

DOS

IR

Vibrations