Geometry & MOs

Info

ID:	51975
PubChem CID:	12014746
Reduced:	SN2O2H22C24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	278.141913
ΔH_f, kcal/mol:	-8.31
Dipole, Da:	4.3
IP(EA), eV:	-9.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,9bR)-4a-amino-9b-phenyl-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one

Drug info:

PubChemData

Smile

C1C[C@]2(CC3=CC=CC=C3[C@]2(NC1=O)C4=CC=CC=C4)NC(=O)CC5=CC=CS5

DOS

IR

Vibrations