Geometry & MOs

Info

ID:	420005
PubChem CID:	135110687
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	-105.06
Dipole, Da:	3.02
IP(EA), eV:	-9.4(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)CN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations