Geometry & MOs

Info

ID:	49948
PubChem CID:	11538281
Reduced:	SF3O3N5H12C14 (1)
Stoich.:	AB3C3D5E12F14 (1)
Weight, g/mol:	387.130695
ΔH_f, kcal/mol:	-217.77
Dipole, Da:	3.0
IP(EA), eV:	-8.79(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(furan-2-yl)-9-methyl-N-(2-phenylethyl)-6-(trifluoromethyl)purin-2-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=NC(=NC=C1C(F)(F)F)NC2=CC3=C(C=C2)NC(=O)C3

DOS

IR

Vibrations