Geometry & MOs

Info

ID:	415775
PubChem CID:	135088776
Reduced:	O4N5C24H29 (1)
Stoich.:	A4B5C24D29 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	-41.4
Dipole, Da:	4.97
IP(EA), eV:	-8.81(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1CCN(C(=O)C2=CC(=CC=C2)OCCN3C=C(COC4=C(C1)C=CC=C4OC)N=N3)C

DOS

IR

Vibrations