Geometry & MOs

Info

ID:	298919
PubChem CID:	117664343
Reduced:	FON5H20C24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	356.142387
ΔH_f, kcal/mol:	42.15
Dipole, Da:	10.27
IP(EA), eV:	-8.84(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(E)-2-(4-fluorophenyl)ethenyl]-2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)benzoic acid

Drug info:

PubChemData

Smile

C1CC(CNC1)OC2=NC(=CN=C2)C3=CNC4=C3C=C(C=C4)C5=CC(=C(C=C5)C#N)F

DOS

IR

Vibrations