Geometry & MOs

Info

ID:	169647
PubChem CID:	75131216
Reduced:	O2N6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	274.154209
ΔH_f, kcal/mol:	57.61
Dipole, Da:	2.4
IP(EA), eV:	-8.22(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CN3CCCC3C4=NC(=NO4)C5=CN=C(C=C5)N6CCOCC6

DOS

IR

Vibrations