Geometry & MOs

Info

ID:	419830
PubChem CID:	135109225
Reduced:	NO3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	361.117021
ΔH_f, kcal/mol:	-125.57
Dipole, Da:	2.41
IP(EA), eV:	-8.09(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl-4-thiophen-2-ylbutan-1-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN2CCC[C@@]3(C2)CCC[C@H]3O)OC

DOS

IR

Vibrations