Geometry & MOs

Info

ID:	423690
PubChem CID:	135120018
Reduced:	NO3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	413.188546
ΔH_f, kcal/mol:	-138.6
Dipole, Da:	6.77
IP(EA), eV:	-9.44(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylethanone

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)N2CCC(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations