Geometry & MOs

Info

ID:	199401
PubChem CID:	79241396
Reduced:	BrON4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	269.137556
ΔH_f, kcal/mol:	42.31
Dipole, Da:	2.56
IP(EA), eV:	-9.64(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)NC2=NC=NC=C2Br

DOS

IR

Vibrations