Geometry & MOs

Info

ID:	415216
PubChem CID:	135088208
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	347.099143
ΔH_f, kcal/mol:	-20.41
Dipole, Da:	1.94
IP(EA), eV:	-9.81(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-5-hydroxyphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=CC(=CN3)C#N

DOS

IR

Vibrations