Geometry & MOs

Info

ID:	310464
PubChem CID:	126580591
Reduced:	FO3N6C23H29 (1)
Stoich.:	AB3C6D23E29 (1)
Weight, g/mol:	440.228437
ΔH_f, kcal/mol:	-61.09
Dipole, Da:	4.09
IP(EA), eV:	-8.78(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(2-aminopyrimidin-5-yl)-6-(oxan-4-yl)purin-9-yl]-N-hydroxyheptanamide

Drug info:

PubChemData

Smile

C=C(CCCCCCN1C=NC2=C1N=C(N=C2N3CCOCC3)C4=CC(=C(C=C4)F)O)NO

DOS

IR

Vibrations