Geometry & MOs

Info

ID:	299539
PubChem CID:	117687407
Reduced:	SO5C12H20 (1)
Stoich.:	AB5C12D20 (1)
Weight, g/mol:	313.171417
ΔH_f, kcal/mol:	-246.43
Dipole, Da:	7.46
IP(EA), eV:	-8.91(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-N,N-bis(fluoromethyl)-9-(2-methoxyethyl)purin-6-amine

Drug info:

PubChemData

Smile

CC(=O)OC(=O)C(C)(CSC(C)(C)C)C(=O)OC

DOS

IR

Vibrations