Geometry & MOs

Info

ID:	189967
PubChem CID:	77934126
Reduced:	NO4C33H37 (1)
Stoich.:	AB4C33D37 (1)
Weight, g/mol:	387.154269
ΔH_f, kcal/mol:	-123.22
Dipole, Da:	5.44
IP(EA), eV:	-8.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[1-(4-hydroxyphenyl)ethyl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1NC(C2=CC=CC=C2)C(=O)OC(CCCC(=O)C3=CC=CC=C3)C4CCCCC4

DOS

IR

Vibrations