Geometry & MOs

Info

ID:	312949
PubChem CID:	126610334
Reduced:	OF4H26C28 (1)
Stoich.:	AB4C26D28 (1)
Weight, g/mol:	444.262857
ΔH_f, kcal/mol:	-171.6
Dipole, Da:	2.91
IP(EA), eV:	-9.57(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-enyl-2-fluoro-4-[3-fluoro-4-[4-[4-[(E)-pent-3-enyl]phenyl]butyl]phenyl]benzene

Drug info:

PubChemData

Smile

C/C=C/CCC1=CC(=C(C=C1)C2=CC(=C(C=C2)OC(C3=CC=C(C=C3)CCC=C)(F)F)F)F

DOS

IR

Vibrations