Geometry & MOs

Info

ID:	419209
PubChem CID:	135107746
Reduced:	NOF2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	380.130697
ΔH_f, kcal/mol:	-137.23
Dipole, Da:	2.8
IP(EA), eV:	-9.05(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CN(CC1=C(C=C(C=C1)F)F)C2C[C@@H]3CC(C[C@@H]3C2)O

DOS

IR

Vibrations