Geometry & MOs

Info

ID:	269747
PubChem CID:	103618912
Reduced:	F3N3O3C10H10 (1)
Stoich.:	A3B3C3D10E10 (1)
Weight, g/mol:	297.012803
ΔH_f, kcal/mol:	-194.4
Dipole, Da:	8.54
IP(EA), eV:	-9.62(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-nitrophenyl)-3-(2,2,2-trifluoroethyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NCC(F)(F)F

DOS

IR

Vibrations