Geometry & MOs

Info

ID:	339548
PubChem CID:	127261538
Reduced:	N5O5C15H21 (1)
Stoich.:	A5B5C15D21 (1)
Weight, g/mol:	405.248838
ΔH_f, kcal/mol:	-165.34
Dipole, Da:	12.67
IP(EA), eV:	-9.03(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[9-[(2R,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-3H-purin-2-yl]-N,N-dibutylmethanimidamide

Drug info:

PubChemData

Smile

C1CCO[C@H](C1)NC2=NC(=O)C3=C(N2)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O

DOS

IR

Vibrations