Geometry & MOs

Info

ID:	302606
PubChem CID:	124385273
Reduced:	N5C13H19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	385.175004
ΔH_f, kcal/mol:	68.27
Dipole, Da:	4.91
IP(EA), eV:	-9.39(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[6-[[(2S)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

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CC[C@H](C)[C@@H](C)N=C(NC#N)NC1=CC=NC=C1

DOS

IR

Vibrations