Geometry & MOs

Info

ID:	122419
PubChem CID:	50805697
Reduced:	BrN2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	294.117984
ΔH_f, kcal/mol:	13.76
Dipole, Da:	3.06
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(ON=C2C3=CC(=CC=C3)Br)C

DOS

IR

Vibrations