Geometry & MOs

Info

ID:	414727
PubChem CID:	135087688
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	-37.27
Dipole, Da:	6.36
IP(EA), eV:	-9.87(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CS1)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations