Geometry & MOs

Info

ID:	218044
PubChem CID:	85088784
Reduced:	NO5C24H41 (1)
Stoich.:	AB5C24D41 (1)
Weight, g/mol:	423.130946
ΔH_f, kcal/mol:	-260.91
Dipole, Da:	3.18
IP(EA), eV:	-9.85(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-amino-2-[2-(4-chlorophenyl)ethoxy]-3,6-dihydropurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CCCCCC(C=CC1CCC(C1CC=NC(CC(C)C)C(=O)OC)O)OC(=O)C

DOS

IR

Vibrations