Geometry & MOs

Info

ID:	38276
PubChem CID:	8028865
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	344.161031
ΔH_f, kcal/mol:	-110.24
Dipole, Da:	8.68
IP(EA), eV:	-9.27(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1R,3R,3aR,6aS)-5-(2-methoxyethyl)-1,7'-dimethylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCCN1C=CN=C1)OC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3

DOS

IR

Vibrations