Geometry & MOs

Info

ID:	339162
PubChem CID:	127260541
Reduced:	O3N6C19H30 (1)
Stoich.:	A3B6C19D30 (1)
Weight, g/mol:	334.175339
ΔH_f, kcal/mol:	-77.6
Dipole, Da:	4.55
IP(EA), eV:	-8.6(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN(CCCC)/C=N/C1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O

DOS

IR

Vibrations