Geometry & MOs

Info

ID:	288959
PubChem CID:	104328995
Reduced:	ClFOH14C18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	326.027663
ΔH_f, kcal/mol:	-47.4
Dipole, Da:	1.02
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-[chloro-(4-fluoro-2-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(C2=CC=C(C3=CC=CC=C32)Cl)O

DOS

IR

Vibrations