Geometry & MOs

Info

ID:	312467
PubChem CID:	126605495
Reduced:	ION2C3H3 (1)
Stoich.:	ABC2D3E3 (1)
Weight, g/mol:	428.233602
ΔH_f, kcal/mol:	0.47
Dipole, Da:	0.38
IP(EA), eV:	-9.73(-2.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-(tert-butylamino)propyl]-2-fluoro-8-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]purin-6-amine

Drug info:

PubChemData

Smile

C(C#N)C(=O)NI

DOS

IR

Vibrations