Geometry & MOs

Info

ID:	159795
PubChem CID:	57288758
Reduced:	FC13H15 (2)
Stoich.:	AB13C15 (2)
Weight, g/mol:	141.115364
ΔH_f, kcal/mol:	-46.31
Dipole, Da:	2.49
IP(EA), eV:	-8.92(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4S,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol

Drug info:

PubChemData

Smile

CCCCCC1(CCCCC1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C#CC)F)F

DOS

IR

Vibrations