Geometry & MOs

Info

ID:	7063
PubChem CID:	71149
Reduced:	BrN2O2C9H15 (1)
Stoich.:	AB2C2D9E15 (1)
Weight, g/mol:	262.03169
ΔH_f, kcal/mol:	-47.44
Dipole, Da:	3.85
IP(EA), eV:	-9.6(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-1,2-oxazol-5-yl)-2-(tert-butylamino)ethanol

Drug info:

PubChemData

Smile

CC(C)(C)NCC(C1=CC(=NO1)Br)O

DOS

IR

Vibrations