Geometry & MOs

Info

ID:	51972
PubChem CID:	12014743
Reduced:	NO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	398.199428
ΔH_f, kcal/mol:	-73.52
Dipole, Da:	7.32
IP(EA), eV:	-9.86(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,9bR)-4a-[(2-methoxyphenyl)methylamino]-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)C(=O)O

DOS

IR

Vibrations