Geometry & MOs

Info

ID:	179119
PubChem CID:	76436721
Reduced:	ON6C13H16 (1)
Stoich.:	AB6C13D16 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	67.95
Dipole, Da:	8.25
IP(EA), eV:	-9.8(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-5-propyl-2-(2-propylpyridine-4-carbonyl)-1,3,4,6a-tetrahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C1N)NC(=O)C2=CC=C(C=C2)CN3C=NN=N3

DOS

IR

Vibrations