Geometry & MOs

Info

ID:	187753
PubChem CID:	77619063
Reduced:	N2O2C17H32 (1)
Stoich.:	A2B2C17D32 (1)
Weight, g/mol:	417.212452
ΔH_f, kcal/mol:	-137.64
Dipole, Da:	3.8
IP(EA), eV:	-8.65(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,5-dimethyl-4-propylpyrazol-1-yl)-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2CCC(C2)N(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations