Geometry & MOs

Info

ID:	405911
PubChem CID:	135075910
Reduced:	ClOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	300.131429
ΔH_f, kcal/mol:	-8.81
Dipole, Da:	3.48
IP(EA), eV:	-9.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-methyl-1-[2-[2-(4-methylphenyl)ethynyl]phenyl]benzene

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2CCl

DOS

IR

Vibrations