Geometry & MOs

Info

ID:	306898
PubChem CID:	125264224
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	50.74
Dipole, Da:	3.82
IP(EA), eV:	-9.19(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aS)-4-phenyl-1-(3H-pyrrole-2-carbonyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1CC(=O)N([C@@H]2[C@@H]1N(CC2)CC3=CC(=CC=C3)C#N)C4=CN=CC=C4

DOS

IR

Vibrations