Geometry & MOs

Info

ID:	221333
PubChem CID:	85267712
Reduced:	N2O6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	402.201553
ΔH_f, kcal/mol:	-239.46
Dipole, Da:	3.47
IP(EA), eV:	-9.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-aminopurin-9-yl)-N-cyclohexyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C(=O)N2C(CC2=O)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations