Geometry & MOs

Info

ID:	184424
PubChem CID:	77159685
Reduced:	F3O4N7C19H24 (1)
Stoich.:	A3B4C7D19E24 (1)
Weight, g/mol:	468.02964
ΔH_f, kcal/mol:	-277.51
Dipole, Da:	8.36
IP(EA), eV:	-9.15(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(trifluoromethyl)phenyl]ethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate

Drug info:

PubChemData

Smile

CC1C(CC(CN1C2=NC(=CC(=N2)NC3=CC=NN3)C)NC(=O)OC(C)C(F)(F)F)C(=O)O

DOS

IR

Vibrations