Geometry & MOs

Info

ID:	318330
PubChem CID:	126650528
Reduced:	ClFN2O8C29H30 (1)
Stoich.:	ABC2D8E29F30 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	-317.87
Dipole, Da:	3.56
IP(EA), eV:	-9.1(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N,9-bis(oxolan-2-yl)purin-6-amine

Drug info:

PubChemData

Smile

COC1=CN(C(=O)C=C1C2=C(C=CC(=C2)Cl)OCCF)C(CC3COCCO3)C(=O)NC4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations