Geometry & MOs

Info

ID:	225618
PubChem CID:	85856640
Reduced:	F4H16C19 (1)
Stoich.:	A4B16C19 (1)
Weight, g/mol:	340.143885
ΔH_f, kcal/mol:	-146.62
Dipole, Da:	6.38
IP(EA), eV:	-8.84(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pentyl-4-[4-[4-(trifluoromethyl)phenyl]buta-1,3-diynyl]benzene

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(C(=C1)F)C2=CC3=CC(=C(C=C3C2)F)F)F

DOS

IR

Vibrations