Geometry & MOs

Info

ID:	126327
PubChem CID:	50959886
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	331.108754
ΔH_f, kcal/mol:	27.18
Dipole, Da:	5.48
IP(EA), eV:	-8.76(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-5-[(8-chloroquinolin-2-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=N/C(=C\2/N=C3CC(CNC(=O)C3=N2)C4=CC=CC=C4OC)/NO1

DOS

IR

Vibrations