Geometry & MOs

Info

ID:	293767
PubChem CID:	117400863
Reduced:	BrFOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	258.00556
ΔH_f, kcal/mol:	-72.23
Dipole, Da:	3.09
IP(EA), eV:	-9.64(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propanal

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)Br)F)CCC=O

DOS

IR

Vibrations