Geometry & MOs

Info

ID:	217640
PubChem CID:	85088147
Reduced:	BrN3O3H10C17 (1)
Stoich.:	AB3C3D10E17 (1)
Weight, g/mol:	384.154603
ΔH_f, kcal/mol:	15.07
Dipole, Da:	4.02
IP(EA), eV:	-8.9(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C3C(=C2)C4=NN(C(=O)C4C=N3)C5=CC=C(C=C5)Br

DOS

IR

Vibrations