Geometry & MOs

Info

ID:	419826
PubChem CID:	135109199
Reduced:	FN2O5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-184.28
Dipole, Da:	6.15
IP(EA), eV:	-9.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-naphthalen-2-ylmethanone

Drug info:

PubChemData

Smile

CCCOC1CCCN(C1)C2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations