Geometry & MOs

Info

ID:	419855
PubChem CID:	135109421
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	342.12628
ΔH_f, kcal/mol:	-134.14
Dipole, Da:	4.01
IP(EA), eV:	-9.49(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCCC2=CC=CC=C2

DOS

IR

Vibrations