Geometry & MOs

Info

ID:	414645
PubChem CID:	135087604
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	2.89
Dipole, Da:	6.56
IP(EA), eV:	-9.23(-0.79)
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]-1,6-dimethylpyridin-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)NN=C2C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations