Geometry & MOs

Info

ID:	326333
PubChem CID:	126687345
Reduced:	N4C9H20 (1)
Stoich.:	A4B9C20 (1)
Weight, g/mol:	357.156264
ΔH_f, kcal/mol:	8.11
Dipole, Da:	5.27
IP(EA), eV:	-8.52(2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3aR,6aS)-5-benzyl-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methylsulfanyl]phenol

Drug info:

PubChemData

Smile

CN1CCNCC1C2CNCCN2

DOS

IR

Vibrations