Geometry & MOs

Info

ID:	149718
PubChem CID:	53789393
Reduced:	NC14H19 (1)
Stoich.:	AB14C19 (1)
Weight, g/mol:	464.287929
ΔH_f, kcal/mol:	-1.73
Dipole, Da:	1.56
IP(EA), eV:	-7.62(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(C(=C2C)C)(C)C

DOS

IR

Vibrations