Geometry & MOs

Info

ID:	382121
PubChem CID:	134973068
Reduced:	N3O5C27H29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	354.04399
ΔH_f, kcal/mol:	-71.17
Dipole, Da:	3.75
IP(EA), eV:	-9.48(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[8-bromo-6-oxo-9-(oxolan-2-yl)-3H-purin-2-yl]-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2[C@H](C(C([C@@H](O2)O)N=[N+]=[N-])OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations