Geometry & MOs

Info

ID:	326296
PubChem CID:	126687292
Reduced:	ClFO3N6C19H20 (1)
Stoich.:	ABC3D6E19F20 (1)
Weight, g/mol:	340.195092
ΔH_f, kcal/mol:	-79.31
Dipole, Da:	3.9
IP(EA), eV:	-8.88(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3aS,6aR)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-2-fluorophenol

Drug info:

PubChemData

Smile

C1COC[C@H]1OC(=O)N2CC(C2)NC3=C(CN=C(N3)C4=CNC5=C4C=C(C=N5)Cl)F

DOS

IR

Vibrations