Geometry & MOs

Info

ID:	279166
PubChem CID:	103841793
Reduced:	BrClON2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	341.97707
ΔH_f, kcal/mol:	-27.06
Dipole, Da:	4.31
IP(EA), eV:	-8.83(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CN1CCCC1CNC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations