Geometry & MOs

Info

ID:	303900
PubChem CID:	124490757
Reduced:	BrNO3C10H16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	263.107692
ΔH_f, kcal/mol:	-152.2
Dipole, Da:	5.9
IP(EA), eV:	-9.62(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(2R)-butan-2-yl]phenyl]-2-[(1R)-1-chloroethyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@@H]1CCCN1C(=O)CBr

DOS

IR

Vibrations