Geometry & MOs

Info

ID:	1996
PubChem CID:	5529
Reduced:	N5O5C15H21 (1)
Stoich.:	A5B5C15D21 (1)
Weight, g/mol:	351.154269
ΔH_f, kcal/mol:	-150.86
Dipole, Da:	2.09
IP(EA), eV:	-8.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-5-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO

DOS

IR

Vibrations