Geometry & MOs

Info

ID:	1426
PubChem CID:	4404
Reduced:	N5O5C18H19 (1)
Stoich.:	A5B5C18D19 (1)
Weight, g/mol:	385.138619
ΔH_f, kcal/mol:	-116.0
Dipole, Da:	5.03
IP(EA), eV:	-9.06(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

C1C(C(OC1N2C=NC3=C(N=CN=C32)NC(=O)COC4=CC=CC=C4)CO)O

DOS

IR

Vibrations