Geometry & MOs

Info

ID:	419260
PubChem CID:	135107835
Reduced:	SO4N5C16H21 (1)
Stoich.:	AB4C5D16E21 (1)
Weight, g/mol:	366.180424
ΔH_f, kcal/mol:	-93.96
Dipole, Da:	3.7
IP(EA), eV:	-9.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC=CC=C2C3=NC=NN3

DOS

IR

Vibrations