Geometry & MOs

Info

ID:	314629
PubChem CID:	126622517
Reduced:	O2F3N5H18C25 (1)
Stoich.:	A2B3C5D18E25 (1)
Weight, g/mol:	427.155686
ΔH_f, kcal/mol:	-70.01
Dipole, Da:	3.1
IP(EA), eV:	-8.97(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoropyridin-4-yl)-9-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpurin-6-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3OC4=CC=CC=C4)C5=NC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations