Geometry & MOs

Info

ID:	292720
PubChem CID:	117357425
Reduced:	FO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	242.095437
ΔH_f, kcal/mol:	-212.67
Dipole, Da:	4.66
IP(EA), eV:	-9.53(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)butanal

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations