Geometry & MOs

Info

ID:	371598
PubChem CID:	131269082
Reduced:	BrOF3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	293.98671
ΔH_f, kcal/mol:	-177.93
Dipole, Da:	3.63
IP(EA), eV:	-9.96(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]propanal

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCC=O)C(F)(F)F)CBr

DOS

IR

Vibrations