Geometry & MOs

Info

ID:	411491
PubChem CID:	135084322
Reduced:	O2C11H12 (1)
Stoich.:	A2B11C12 (1)
Weight, g/mol:	222.105608
ΔH_f, kcal/mol:	-32.45
Dipole, Da:	4.71
IP(EA), eV:	-8.92(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-fluoro-2-[(E)-3-methylbut-1-enyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CC=C)C=O

DOS

IR

Vibrations