Geometry & MOs

Info

ID:	339165
PubChem CID:	127260544
Reduced:	O4N5C10H11 (1)
Stoich.:	A4B5C10D11 (1)
Weight, g/mol:	362.206639
ΔH_f, kcal/mol:	-84.19
Dipole, Da:	3.18
IP(EA), eV:	-9.19(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations