Geometry & MOs

Info

ID:	173420
PubChem CID:	75637049
Reduced:	ON2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	240.134816
ΔH_f, kcal/mol:	24.67
Dipole, Da:	6.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.123948
Charge, e:	1

Chem-info

IUPAC name:

4-hydroxy-3-[2-(1H-imidazol-1-ium-4-yl)ethyl]-4,5,5-trimethyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCC1(CC2=CC=CC=C2C3=C1C(=NN3)[O-])C

DOS

IR

Vibrations