Geometry & MOs

Info

ID:	403039
PubChem CID:	135058488
Reduced:	NO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	233.121592
ΔH_f, kcal/mol:	-25.71
Dipole, Da:	4.99
IP(EA), eV:	-8.45(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-5-fluoro-3H-isoindol-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C(=O)C=C2C3=CC=CC=C3)OC

DOS

IR

Vibrations