Geometry & MOs

Info

ID:	298938
PubChem CID:	117664411
Reduced:	O5C23H26 (1)
Stoich.:	A5B23C26 (1)
Weight, g/mol:	214.115779
ΔH_f, kcal/mol:	-162.09
Dipole, Da:	6.42
IP(EA), eV:	-8.64(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-3-[2-(2-methylphenyl)ethyl]benzene

Drug info:

PubChemData

Smile

CC(=C)CCC1=C(C=C(C(=C1O)C(=O)OC)/C=C/C2=CC=C(C=C2)OC)OC

DOS

IR

Vibrations