Geometry & MOs

Info

ID:	314641
PubChem CID:	126622538
Reduced:	OF2N4H10C13 (2)
Stoich.:	AB2C4D10E13 (2)
Weight, g/mol:	415.116856
ΔH_f, kcal/mol:	-122.26
Dipole, Da:	6.36
IP(EA), eV:	-9.05(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-cyclopropyl-N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-purin-6-amine

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=CC(=C1F)NC2=C3C(=NC(=N2)C4=NC(=CC=C4)C(F)(F)F)N(C=N3)CC5=CC=C(C=C5)OC

DOS

IR

Vibrations