Geometry & MOs

Info

ID:	51970
PubChem CID:	12014741
Reduced:	NOC9H9 (3)
Stoich.:	ABC9D9 (3)
Weight, g/mol:	426.194343
ΔH_f, kcal/mol:	-61.58
Dipole, Da:	7.61
IP(EA), eV:	-9.04(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,9bR)-N-[(2-methoxyphenyl)methyl]-2-oxo-9b-phenyl-1,3,4,5-tetrahydroindeno[1,2-b]pyridine-4a-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations