Geometry & MOs

Info

ID:	294861
PubChem CID:	117500943
Reduced:	BrN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	315.085521
ΔH_f, kcal/mol:	-46.36
Dipole, Da:	4.75
IP(EA), eV:	-8.84(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methyl-3,5-dioxopiperazin-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Br)OC)CN2CCNCC2

DOS

IR

Vibrations