Geometry & MOs

Info

ID:	445584
PubChem CID:	135268323
Reduced:	SC6H8 (1)
Stoich.:	AB6C8 (1)
Weight, g/mol:	274.092456
ΔH_f, kcal/mol:	80.46
Dipole, Da:	0.88
IP(EA), eV:	-8.83(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2-prop-1-en-2-ylphenyl)methyl]-4-fluoro-2-methylbenzene

Drug info:

PubChemData

Smile

CC1C#CCCS1

DOS

IR

Vibrations