Geometry & MOs

Info

ID:	147297
PubChem CID:	53786952
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	450.272279
ΔH_f, kcal/mol:	-113.48
Dipole, Da:	4.87
IP(EA), eV:	-9.6(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-1-[2-(4-octylphenyl)ethynyl]-4-[2-(4-propylphenyl)ethynyl]benzene

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C=O)OC(=O)C(C)(C)C

DOS

IR

Vibrations