Geometry & MOs

Info

ID:	54941
PubChem CID:	17389571
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	248.056385
ΔH_f, kcal/mol:	-75.26
Dipole, Da:	3.92
IP(EA), eV:	-8.63(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=O)CN2CCCCCC2.Br

DOS

IR

Vibrations