Geometry & MOs

Info

ID:	307019
PubChem CID:	125264667
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	43.64
Dipole, Da:	5.27
IP(EA), eV:	-9.59(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-1-(3H-pyrrole-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one

Drug info:

PubChemData

Smile

C1CN([C@H]2[C@@H]1N(C(=O)C2)CC3=CN=CC=C3)CC4=CC(=CC=C4)C#N

DOS

IR

Vibrations