Geometry & MOs

Info

ID:	371599
PubChem CID:	131269083
Reduced:	BrOF3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	293.98671
ΔH_f, kcal/mol:	-178.28
Dipole, Da:	5.77
IP(EA), eV:	-9.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(bromomethyl)-5-(trifluoromethyl)phenyl]propanal

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CBr)C(F)(F)F)CCC=O

DOS

IR

Vibrations