Geometry & MOs

Info

ID:	30970
PubChem CID:	854015
Reduced:	O2N5H11C13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	20.21
Dipole, Da:	7.87
IP(EA), eV:	-9.09(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-9-[(2S)-oxan-2-yl]purin-6-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)NCC2=CN=C(C(=N2)C#N)N

DOS

IR

Vibrations