Geometry & MOs

Info

ID:	51971
PubChem CID:	12014742
Reduced:	N2O3H26C27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	307.120843
ΔH_f, kcal/mol:	-58.2
Dipole, Da:	7.45
IP(EA), eV:	-9.06(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,9bR)-2-oxo-9b-phenyl-1,3,4,5-tetrahydroindeno[1,2-b]pyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)[C@@]23CCC(=O)N[C@@]2(C4=CC=CC=C4C3)C5=CC=CC=C5

DOS

IR

Vibrations