Geometry & MOs

Info

ID:	421369
PubChem CID:	135115878
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-65.91
Dipole, Da:	6.29
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1N=C(C=C2)CN3C[C@@H]4COC[C@H](C3)NC4=O

DOS

IR

Vibrations