Geometry & MOs

Info

ID:	261954
PubChem CID:	103261776
Reduced:	NO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	226.095357
ΔH_f, kcal/mol:	-122.26
Dipole, Da:	1.94
IP(EA), eV:	-9.45(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2-methyloxolan-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CCO1)NC(C2CC2)C(=O)OC

DOS

IR

Vibrations