Geometry & MOs

Info

ID:	423628
PubChem CID:	135119872
Reduced:	ClN2O4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-171.94
Dipole, Da:	6.48
IP(EA), eV:	-9.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-oxo-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylethyl)-4-propan-2-ylpiperazin-2-one

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=CC(=CN=C3)Cl)O

DOS

IR

Vibrations