Geometry & MOs

Info

ID:	306835
PubChem CID:	125258707
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	308.127326
ΔH_f, kcal/mol:	-78.58
Dipole, Da:	2.83
IP(EA), eV:	-9.63(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-1-(pyridine-2-carbonyl)-4-pyridin-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

Drug info:

PubChemData

Smile

COCCN1[C@H]2CCN([C@H]2CCC1=O)C(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations