Geometry & MOs

Info

ID:	157583
PubChem CID:	56435871
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	425.267842
ΔH_f, kcal/mol:	-52.1
Dipole, Da:	5.27
IP(EA), eV:	-9.09(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)-N-propylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(C)C(=O)OC)C(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations