Geometry & MOs

Info

ID:	204755
PubChem CID:	80003813
Reduced:	ClNO4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	296.137222
ΔH_f, kcal/mol:	-151.75
Dipole, Da:	6.87
IP(EA), eV:	-9.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(OC1CNC(=O)/C=C/C2=CC=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations