Geometry & MOs

Info

ID:	326366
PubChem CID:	126687398
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	337.215413
ΔH_f, kcal/mol:	9.92
Dipole, Da:	2.01
IP(EA), eV:	-8.78(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CN1CCC3=NC=C(C=C3)O)CC4=CC=CC=C4

DOS

IR

Vibrations