Geometry & MOs

Info

ID:	199181
PubChem CID:	79210281
Reduced:	BrO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	311.99097
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	4.1
IP(EA), eV:	-9.26(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)CN(C)C(=O)C2=C(C=C(C=C2)Br)OC

DOS

IR

Vibrations