Geometry & MOs

Info

ID:	371604
PubChem CID:	131269088
Reduced:	BrClF3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	293.98671
ΔH_f, kcal/mol:	-166.63
Dipole, Da:	4.61
IP(EA), eV:	-9.97(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(bromomethyl)-3-(trifluoromethyl)phenyl]propanal

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CBr)C(F)(F)F)CCCCl

DOS

IR

Vibrations