Geometry & MOs

Info

ID:	330025
PubChem CID:	127247012
Reduced:	O2N6C17H24 (1)
Stoich.:	A2B6C17D24 (1)
Weight, g/mol:	330.180424
ΔH_f, kcal/mol:	-2.73
Dipole, Da:	7.0
IP(EA), eV:	-8.86(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CCC(=O)N2CCCC2C3=CN=CC(=N3)NC

DOS

IR

Vibrations