Geometry & MOs

Info

ID:	419914
PubChem CID:	135109700
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	361.19026
ΔH_f, kcal/mol:	-58.84
Dipole, Da:	6.18
IP(EA), eV:	-8.75(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)CN3C=C(C4=CC=CC=C43)C(=O)C5CC5

DOS

IR

Vibrations