Geometry & MOs

Info

ID:	371600
PubChem CID:	131269084
Reduced:	BrOF3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	293.98671
ΔH_f, kcal/mol:	-180.34
Dipole, Da:	2.43
IP(EA), eV:	-10.13(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)CCC=O)CBr

DOS

IR

Vibrations