Geometry & MOs

Info

ID:	417741
PubChem CID:	135102631
Reduced:	ON3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	25.51
Dipole, Da:	3.72
IP(EA), eV:	-8.63(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(5-hydroxypyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CN2C1=C(C=N2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations