Geometry & MOs

Info

ID:	51973
PubChem CID:	12014744
Reduced:	NOC13H13 (2)
Stoich.:	ABC13D13 (2)
Weight, g/mol:	382.204513
ΔH_f, kcal/mol:	-10.99
Dipole, Da:	6.78
IP(EA), eV:	-8.94(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN[C@@]23CCC(=O)N[C@@]2(C4=CC=CC=C4C3)C5=CC=CC=C5

DOS

IR

Vibrations