Geometry & MOs

Info

ID:	371595
PubChem CID:	131269079
Reduced:	Br2F3C11H11 (1)
Stoich.:	A2B3C11D11 (1)
Weight, g/mol:	293.98671
ΔH_f, kcal/mol:	-155.95
Dipole, Da:	4.38
IP(EA), eV:	-9.97(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations