Geometry & MOs

Info

ID:	415513
PubChem CID:	135088509
Reduced:	ON5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	18.09
Dipole, Da:	2.37
IP(EA), eV:	-9.08(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C2=NC=CC(=N2)N)O)CC3=CC=NC=C3

DOS

IR

Vibrations