Geometry & MOs

Info

ID:	416402
PubChem CID:	135089415
Reduced:	SN2O6C15H22 (1)
Stoich.:	AB2C6D15E22 (1)
Weight, g/mol:	408.252526
ΔH_f, kcal/mol:	-217.7
Dipole, Da:	4.71
IP(EA), eV:	-8.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(3-methoxy-4-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC(=C(C=C2)OC)O

DOS

IR

Vibrations