Geometry & MOs

Info

ID:	169645
PubChem CID:	75131152
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	21.92
Dipole, Da:	3.69
IP(EA), eV:	-8.22(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-5-[5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CN3CCCC3C4=NC(=NO4)C5=NC=CC(=C5)OCCOC

DOS

IR

Vibrations