Geometry & MOs

Info

ID:	389517
PubChem CID:	134993450
Reduced:	SC16H16 (1)
Stoich.:	AB16C16 (1)
Weight, g/mol:	232.089958
ΔH_f, kcal/mol:	37.66
Dipole, Da:	1.94
IP(EA), eV:	-8.49(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-4-(3-fluorophenyl)-3a-hydroxy-2,3,6,6a-tetrahydropentalen-1-one

Drug info:

PubChemData

Smile

CSC1=CC=CC2=C1C(CC2)C3=CC=CC=C3

DOS

IR

Vibrations