Geometry & MOs

Info

ID:	326371
PubChem CID:	126687415
Reduced:	FNPSI2O2C9H9 (1)
Stoich.:	ABCDE2F2G9H9 (1)
Weight, g/mol:	388.196234
ΔH_f, kcal/mol:	-126.68
Dipole, Da:	2.57
IP(EA), eV:	-9.18(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=C)C1=NC(=C(C=C1)OSP(I)I)F

DOS

IR

Vibrations