Geometry & MOs

Info

ID:	312957
PubChem CID:	126610389
Reduced:	FOC28H29 (1)
Stoich.:	ABC28D29 (1)
Weight, g/mol:	424.256629
ΔH_f, kcal/mol:	-16.99
Dipole, Da:	3.07
IP(EA), eV:	-8.73(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C/CCC1=CC=C(C=C1)C2=C(C=C(C=C2)OCC3=CC=C(C=C3)CCC=C)F

DOS

IR

Vibrations