Geometry & MOs

Info

ID:	10311
PubChem CID:	100145
Reduced:	N3O5C9H11 (1)
Stoich.:	A3B5C9D11 (1)
Weight, g/mol:	241.06987
ΔH_f, kcal/mol:	-70.53
Dipole, Da:	4.88
IP(EA), eV:	-10.2(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-(2-nitroimidazol-1-yl)-3,6-dihydro-2H-pyran-3-ol

Drug info:

PubChemData

Smile

C1=CC(OC(C1O)CO)N2C=CN=C2[N+](=O)[O-]

DOS

IR

Vibrations