Geometry & MOs

Info

ID:	376305
PubChem CID:	134222315
Reduced:	ClO2F7H16C23 (1)
Stoich.:	AB2C7D16E23 (1)
Weight, g/mol:	304.1075
ΔH_f, kcal/mol:	-375.64
Dipole, Da:	8.68
IP(EA), eV:	-9.62(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-difluoro-2-(fluoromethoxy)-5-[2-(4-propylphenyl)ethynyl]benzene

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C=C1)C2=CC(=C(C(=C2)Cl)C(OC3=CC(=C(C(=C3)F)OCF)F)(F)F)F)F

DOS

IR

Vibrations