Geometry & MOs

Info

ID:	294553
PubChem CID:	117470150
Reduced:	BrFO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	289.99539
ΔH_f, kcal/mol:	-131.91
Dipole, Da:	5.95
IP(EA), eV:	-8.76(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)propanal

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1OC)F)CCC=O)Br

DOS

IR

Vibrations