Geometry & MOs

Info

ID:	184728
PubChem CID:	77199788
Reduced:	LiN2O4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	398.184927
ΔH_f, kcal/mol:	-152.83
Dipole, Da:	10.87
IP(EA), eV:	-9.38(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]-1,3-benzoxazole-4-carboxylate

Drug info:

PubChemData

Smile

[Li+].CC1COCCN1C2=NC3=C(C=CC=C3O2)C(=O)[O-]

DOS

IR

Vibrations