Geometry & MOs

Info

ID:	53515
PubChem CID:	14716424
Reduced:	FC27H29 (1)
Stoich.:	AB27C29 (1)
Weight, g/mol:	370.209679
ΔH_f, kcal/mol:	-2.17
Dipole, Da:	2.25
IP(EA), eV:	-9.02(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethyl]benzene

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C(=C)C2=CC=C(C=C2)CCC3=CC=C(C=C3)F

DOS

IR

Vibrations