Geometry & MOs

Info

ID:	293593
PubChem CID:	117393998
Reduced:	FO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	256.111087
ΔH_f, kcal/mol:	-190.2
Dipole, Da:	3.12
IP(EA), eV:	-8.4(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-3,5,6-trimethoxyphenyl)butanal

Drug info:

PubChemData

Smile

CC(C)(CO)C1=CC2=C(C(=C1OC)F)OCCO2

DOS

IR

Vibrations