Geometry & MOs

Info

ID:	312953
PubChem CID:	126610377
Reduced:	F3H27C28 (1)
Stoich.:	A3B27C28 (1)
Weight, g/mol:	420.206485
ΔH_f, kcal/mol:	-72.67
Dipole, Da:	1.69
IP(EA), eV:	-9.14(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-enyl-4-[2-[4-(4-but-3-enyl-2-fluorophenyl)-2-fluorophenyl]ethyl]-2-fluorobenzene

Drug info:

PubChemData

Smile

C=CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)CCC3=C(C(=C(C=C3)CCC=C)F)F)F

DOS

IR

Vibrations