Geometry & MOs

Info

ID:	174700
PubChem CID:	75806475
Reduced:	O3N4C15H21 (1)
Stoich.:	A3B4C15D21 (1)
Weight, g/mol:	392.08085
ΔH_f, kcal/mol:	-58.59
Dipole, Da:	16.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.809373
Charge, e:	-2

Chem-info

IUPAC name:

7-(4-carboxylatophenyl)-1-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[NH+](C)C1(CCCC1)CNC(=O)C(=O)N=C2C=NC=CC2=O

DOS

IR

Vibrations