Geometry & MOs

Info

ID:	260585
PubChem CID:	103196272
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	296.097249
ΔH_f, kcal/mol:	-86.78
Dipole, Da:	6.19
IP(EA), eV:	-9.79(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-4-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)C3=C(C=NC=C3)C(=O)O

DOS

IR

Vibrations