Geometry & MOs

Info

ID:	202625
PubChem CID:	79701292
Reduced:	OF2N2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	323.99836
ΔH_f, kcal/mol:	-128.37
Dipole, Da:	3.9
IP(EA), eV:	-9.05(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[(2,4-dimethylphenyl)sulfanylmethyl]-5-fluorobenzene

Drug info:

PubChemData

Smile

CCCN(CC1CCNCC1)C(=O)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations