Geometry & MOs

Info

ID:	371603
PubChem CID:	131269087
Reduced:	BrOF3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	313.96848
ΔH_f, kcal/mol:	-179.97
Dipole, Da:	3.81
IP(EA), eV:	-10.1(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C(F)(F)F)CCC=O)CBr

DOS

IR

Vibrations