Geometry & MOs

Info

ID:	173385
PubChem CID:	75632668
Reduced:	N2O3C13H16 (2)
Stoich.:	A2B3C13D16 (2)
Weight, g/mol:	338.133868
ΔH_f, kcal/mol:	-224.97
Dipole, Da:	7.14
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(1-hydroxypropan-2-yl)oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)CCC(=O)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)O)O

DOS

IR

Vibrations