Geometry & MOs

Info

ID:	437922
PubChem CID:	135227317
Reduced:	OF4N4H18C24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	506.172974
ΔH_f, kcal/mol:	-122.99
Dipole, Da:	6.64
IP(EA), eV:	-8.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-fluoro-4-phenylmethoxyphenyl)-8-propan-2-yl-2-[3-(trifluoromethyl)phenyl]purine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC(=C(C=C2)NC3=NC(=NC=C3N)C4=CC(=CC=C4)C(F)(F)F)F

DOS

IR

Vibrations