Geometry & MOs

Info

ID:	414800
PubChem CID:	135087763
Reduced:	NO5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	366.180424
ΔH_f, kcal/mol:	-199.19
Dipole, Da:	2.56
IP(EA), eV:	-8.2(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-7H-purin-2-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCCN2CC[C@@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations