Geometry & MOs

Info

ID:	279504
PubChem CID:	103844160
Reduced:	SN3O4H11C13 (1)
Stoich.:	AB3C4D11E13 (1)
Weight, g/mol:	263.090606
ΔH_f, kcal/mol:	4.83
Dipole, Da:	5.14
IP(EA), eV:	-9.46(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methyl-5-nitroimidazol-4-yl)oxyphenyl]ethanol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCO)OC2=C(N3C=CSC3=N2)[N+](=O)[O-]

DOS

IR

Vibrations