Geometry & MOs

Info

ID:	122407
PubChem CID:	50805408
Reduced:	BrN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	338.143056
ΔH_f, kcal/mol:	-49.65
Dipole, Da:	1.79
IP(EA), eV:	-9.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-6-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=C(C=C2)Br)C(=O)NCCOC

DOS

IR

Vibrations