Geometry & MOs

Info

ID:	189969
PubChem CID:	77934419
Reduced:	N5O5C18H21 (1)
Stoich.:	A5B5C18D21 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	-129.36
Dipole, Da:	5.42
IP(EA), eV:	-9.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-[(4-methylphenyl)methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O

DOS

IR

Vibrations