Geometry & MOs

Info

ID:	415575
PubChem CID:	135088571
Reduced:	ClO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	-65.23
Dipole, Da:	3.66
IP(EA), eV:	-9.46(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylimidazo[1,2-b]pyrazol-7-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)C3=C(C=NN3)Cl

DOS

IR

Vibrations