Geometry & MOs

Info

ID:	342781
PubChem CID:	127265944
Reduced:	SN2O2F3C13H17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	338.110294
ΔH_f, kcal/mol:	-228.82
Dipole, Da:	4.4
IP(EA), eV:	-9.62(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-[2-[4-(trifluoromethyl)pyridin-2-yl]ethylamino]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CSC(=N1)CN2CCCC(C2)C(F)(F)F

DOS

IR

Vibrations