Geometry & MOs

Info

ID:	294552
PubChem CID:	117470117
Reduced:	BrFO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	289.99539
ΔH_f, kcal/mol:	-164.3
Dipole, Da:	6.23
IP(EA), eV:	-9.59(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1=C(C(=CC(=C1)F)OC)Br)C(=O)O

DOS

IR

Vibrations