Geometry & MOs

Info

ID:	414263
PubChem CID:	135087219
Reduced:	FN3O4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	342.12628
ΔH_f, kcal/mol:	-121.6
Dipole, Da:	2.42
IP(EA), eV:	-8.93(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl-7H-purin-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)N3C[C@H]4CC[C@@H](C3)C4N)C(=O)O)F

DOS

IR

Vibrations