Geometry & MOs

Info

ID:	339161
PubChem CID:	127260540
Reduced:	O3N6C15H20 (1)
Stoich.:	A3B6C15D20 (1)
Weight, g/mol:	390.237939
ΔH_f, kcal/mol:	-55.52
Dipole, Da:	5.85
IP(EA), eV:	-8.55(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dibutyl-N'-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]methanimidamide

Drug info:

PubChemData

Smile

CN\1CCC/C1=N\C2=C3C(=NC=N2)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O

DOS

IR

Vibrations