Geometry & MOs

Info

ID:	211716
PubChem CID:	81050507
Reduced:	FCl2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	235.94037
ΔH_f, kcal/mol:	-101.98
Dipole, Da:	1.41
IP(EA), eV:	-9.56(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-2-chloro-4-fluoro-5-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)C(CC(C)CC(C)(C)C)Cl

DOS

IR

Vibrations