Geometry & MOs

Info

ID:	314615
PubChem CID:	126622454
Reduced:	N2O5H36C38 (1)
Stoich.:	A2B5C36D38 (1)
Weight, g/mol:	321.113822
ΔH_f, kcal/mol:	-128.41
Dipole, Da:	4.42
IP(EA), eV:	-8.91(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoropyridin-4-yl)-2-(6-methylpyridin-2-yl)-7H-purin-6-amine

Drug info:

PubChemData

Smile

CC(C)C1COC(=O)N1C(=O)CC[C@](CC2=CC=CC=C2)(CC3=CC=C(C=C3)C4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O

DOS

IR

Vibrations