Geometry & MOs

Info

ID:	374645
PubChem CID:	131342084
Reduced:	ClFOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	200.040421
ΔH_f, kcal/mol:	-76.54
Dipole, Da:	4.11
IP(EA), eV:	-9.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(chloromethyl)-5-fluorophenyl]propanal

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations