Geometry & MOs

Info

ID:	418438
PubChem CID:	135104775
Reduced:	OSN4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	-2.65
Dipole, Da:	4.12
IP(EA), eV:	-8.32(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations