Geometry & MOs

Info

ID:	422495
PubChem CID:	135117928
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	366.180424
ΔH_f, kcal/mol:	-133.58
Dipole, Da:	4.99
IP(EA), eV:	-9.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations