Geometry & MOs

Info

ID:	418185
PubChem CID:	135103780
Reduced:	SN3O3C16H27 (1)
Stoich.:	AB3C3D16E27 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-106.11
Dipole, Da:	3.35
IP(EA), eV:	-8.85(-0.01)
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]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)CCCN1CCCC(C1)OCC2=CC=CC=N2

DOS

IR

Vibrations