Geometry & MOs

Info

ID:	371592
PubChem CID:	131269076
Reduced:	BrClF3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	313.96848
ΔH_f, kcal/mol:	-168.01
Dipole, Da:	3.05
IP(EA), eV:	-10.18(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-1-(3-chloropropyl)-3-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCCCl)CBr)C(F)(F)F

DOS

IR

Vibrations