Geometry & MOs

Info

ID:	13972
PubChem CID:	401213
Reduced:	N5O5C18H21 (1)
Stoich.:	A5B5C18D21 (1)
Weight, g/mol:	387.154269
ΔH_f, kcal/mol:	-125.21
Dipole, Da:	4.07
IP(EA), eV:	-8.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O

DOS

IR

Vibrations