Geometry & MOs

Info

ID:	261396
PubChem CID:	103230673
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	232.084792
ΔH_f, kcal/mol:	-122.23
Dipole, Da:	2.91
IP(EA), eV:	-8.24(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-methylanilino)methyl]-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)COCCNC1=CC=CC(=C1)C

DOS

IR

Vibrations