Geometry & MOs

Info

ID:	190094
PubChem CID:	77952812
Reduced:	PN7O8C23H28 (1)
Stoich.:	AB7C8D23E28 (1)
Weight, g/mol:	334.138953
ΔH_f, kcal/mol:	-279.44
Dipole, Da:	2.53
IP(EA), eV:	-8.9(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-6-ethoxypurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C(=O)OC)NP(=O)(OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3OC)N)(C)C#N)O)OC4=CC=CC=C4

DOS

IR

Vibrations