Geometry & MOs

Info

ID:	139979
PubChem CID:	52626169
Reduced:	NO2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	461.24452
ΔH_f, kcal/mol:	-136.54
Dipole, Da:	7.87
IP(EA), eV:	-8.56(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,7aS)-1-(3-chlorobenzoyl)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OCCCC(=O)NCC2=CC=CC=C2CN3CCCCC3)OC

DOS

IR

Vibrations