Geometry & MOs

Info

ID:	423131
PubChem CID:	135118979
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	268.142307
ΔH_f, kcal/mol:	12.54
Dipole, Da:	3.33
IP(EA), eV:	-8.84(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CN(CCC12C=CC3=CC=CC=C23)CC4=CC(=O)N5C=CC=C(C5=N4)O

DOS

IR

Vibrations