Geometry & MOs

Info

ID:	420013
PubChem CID:	135110768
Reduced:	NO3C25H31 (1)
Stoich.:	AB3C25D31 (1)
Weight, g/mol:	341.156184
ΔH_f, kcal/mol:	-99.2
Dipole, Da:	3.68
IP(EA), eV:	-8.92(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-3-thiophen-3-ylpropan-1-one

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)C3=CC=CC=C3OCCC4=CC=CC=C4

DOS

IR

Vibrations