Geometry & MOs

Info

ID:	312960
PubChem CID:	126610407
Reduced:	FC31H35 (1)
Stoich.:	AB31C35 (1)
Weight, g/mol:	398.240979
ΔH_f, kcal/mol:	0.1
Dipole, Da:	1.68
IP(EA), eV:	-8.94(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C/CCC1=CC=C(C=C1)CCCCC2=C(C=C(C=C2)C3=CC=C(C=C3)CCC=C)F

DOS

IR

Vibrations