Geometry & MOs

Info

ID:	269748
PubChem CID:	103618914
Reduced:	ClF3N3O3H7C9 (1)
Stoich.:	AB3C3D3E7F9 (1)
Weight, g/mol:	277.067426
ΔH_f, kcal/mol:	-194.71
Dipole, Da:	6.98
IP(EA), eV:	-9.94(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3-nitrophenyl)-3-(2,2,2-trifluoroethyl)urea

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)NCC(F)(F)F

DOS

IR

Vibrations