Geometry & MOs

Info

ID:	417667
PubChem CID:	135102422
Reduced:	ON3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-32.87
Dipole, Da:	3.06
IP(EA), eV:	-8.7(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC1CCCN(C1)CCN2C(=CC(=N2)C)C

DOS

IR

Vibrations