Geometry & MOs

Info

ID:	3491
PubChem CID:	9719
Reduced:	OCl2N2F3H9C14 (1)
Stoich.:	AB2C2D3E9F14 (1)
Weight, g/mol:	348.004403
ΔH_f, kcal/mol:	-173.92
Dipole, Da:	7.44
IP(EA), eV:	-9.13(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)Cl

DOS

IR

Vibrations