Geometry & MOs

Info

ID:	343194
PubChem CID:	127266367
Reduced:	OSF3N5C13H14 (1)
Stoich.:	ABC3D5E13F14 (1)
Weight, g/mol:	328.11471
ΔH_f, kcal/mol:	-136.46
Dipole, Da:	2.44
IP(EA), eV:	-8.57(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(methylamino)-2-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)NC2=C(C=C(C=C2)NC)C(F)(F)F

DOS

IR

Vibrations