Geometry & MOs

Info

ID:	280320
PubChem CID:	103848407
Reduced:	ClN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-83.88
Dipole, Da:	4.3
IP(EA), eV:	-9.7(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

C1COCC1(CNCC2=C(C=CC(=C2)[N+](=O)[O-])Cl)O

DOS

IR

Vibrations