Geometry & MOs

Info

ID:	126510
PubChem CID:	50966893
Reduced:	O2N4H18C23 (1)
Stoich.:	A2B4C18D23 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	8.38
Dipole, Da:	8.0
IP(EA), eV:	-8.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-5-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid

Drug info:

PubChemData

Smile

C1C(C2=C(C=C(C=C2)NC(=O)C3=CN=CC=C3)NC1=O)C4=C5C=CNC5=CC=C4

DOS

IR

Vibrations