Geometry & MOs

Info

ID:	324364
PubChem CID:	126677517
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	392.107375
ΔH_f, kcal/mol:	-84.41
Dipole, Da:	2.71
IP(EA), eV:	-8.82(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CC1(CC(=C(C(N1)(C)C)CO)C2=CC=C(C=C2)OC)C

DOS

IR

Vibrations