Geometry & MOs

Info

ID:	419249
PubChem CID:	135107824
Reduced:	SO3N4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	393.252861
ΔH_f, kcal/mol:	-62.15
Dipole, Da:	0.67
IP(EA), eV:	-9.3(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC2=C(C=CC=N2)C#N

DOS

IR

Vibrations