Geometry & MOs

Info

ID:	293594
PubChem CID:	117394000
Reduced:	FO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	256.111087
ΔH_f, kcal/mol:	-176.62
Dipole, Da:	4.01
IP(EA), eV:	-8.5(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC=O)C1=C(C(=CC(=C1F)OC)OC)OC

DOS

IR

Vibrations