Geometry & MOs

Info

ID:	122012
PubChem CID:	50789580
Reduced:	ClN3O3H16C19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-18.98
Dipole, Da:	2.66
IP(EA), eV:	-8.84(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-(3-methylphenoxy)ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CC3=C(C=C2)N(CC3)C(=O)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations