Geometry & MOs

Info

ID:	420424
PubChem CID:	135113057
Reduced:	OSN4C16H22 (1)
Stoich.:	ABC4D16E22 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	9.62
Dipole, Da:	3.84
IP(EA), eV:	-8.81(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=C4C=CSC4=NC=N3)CO

DOS

IR

Vibrations