Geometry & MOs

Info

ID:	312940
PubChem CID:	126610262
Reduced:	ClOC29H31 (1)
Stoich.:	ABC29D31 (1)
Weight, g/mol:	456.262857
ΔH_f, kcal/mol:	14.33
Dipole, Da:	1.85
IP(EA), eV:	-8.8(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C/CCC1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC=C(C=C3)CC/C=C/C)Cl

DOS

IR

Vibrations