Geometry & MOs

Info

ID:	414974
PubChem CID:	135087954
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	369.151098
ΔH_f, kcal/mol:	81.76
Dipole, Da:	3.37
IP(EA), eV:	-9.01(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-acetylthiophen-3-yl)-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=NN3C=CC=NC3=N2)OCC4=CC=CC=N4

DOS

IR

Vibrations