Geometry & MOs

Info

ID:	173899
PubChem CID:	75695707
Reduced:	O3N5C20H24 (1)
Stoich.:	A3B5C20D24 (1)
Weight, g/mol:	447.214464
ΔH_f, kcal/mol:	30.69
Dipole, Da:	4.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.846268
Charge, e:	1

Chem-info

IUPAC name:

2-methoxy-N-[5-[5-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-1-ium-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

COCCOC1=CC(=NC=C1)C2=NOC(=N2)C3CCC[NH+]3CC4=CC=NC=C4

DOS

IR

Vibrations