Geometry & MOs

Info

ID:	126820
PubChem CID:	50980067
Reduced:	O2N6C19H32 (1)
Stoich.:	A2B6C19D32 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-45.09
Dipole, Da:	6.03
IP(EA), eV:	-8.57(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)C2=CN(N=N2)CC3CCCNC3)N4CCOCC4

DOS

IR

Vibrations