Geometry & MOs

Info

ID:	379241
PubChem CID:	134356893
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	398.206639
ΔH_f, kcal/mol:	-172.84
Dipole, Da:	2.43
IP(EA), eV:	-8.44(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-5-[3-(benzylamino)-2-methylpropyl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

COC1=C2CCCCC2=C(C=C1)CCCC(=O)N3CCOC3=O

DOS

IR

Vibrations