Geometry & MOs

Info

ID:	326302
PubChem CID:	126687299
Reduced:	FN3C13H26 (1)
Stoich.:	AB3C13D26 (1)
Weight, g/mol:	370.205656
ΔH_f, kcal/mol:	-77.09
Dipole, Da:	3.72
IP(EA), eV:	-8.31(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=CNC[C@@]1(C)NCC(C)(C)F)[C@@H](C)N

DOS

IR

Vibrations