Geometry & MOs

Info

ID:	403840
PubChem CID:	135062083
Reduced:	OC21H28 (1)
Stoich.:	AB21C28 (1)
Weight, g/mol:	226.100523
ΔH_f, kcal/mol:	-17.15
Dipole, Da:	1.05
IP(EA), eV:	-8.61(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluorobutyl 4-methoxybenzoate

Drug info:

PubChemData

Smile

CC\1C=C(CC/C1=C/OCC2=CC=CC=C2)CCC=C(C)C

DOS

IR

Vibrations