Geometry & MOs

Info

ID:	420978
PubChem CID:	135115152
Reduced:	N2O2C8H9 (2)
Stoich.:	A2B2C8D9 (2)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-135.05
Dipole, Da:	1.78
IP(EA), eV:	-10.07(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-5-[(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC(=O)CN2C=CC(=O)NC2=O)CC3=CC=NC=C3

DOS

IR

Vibrations