Geometry & MOs

Info

ID:	294567
PubChem CID:	117471092
Reduced:	ClNF3O3H5C11 (1)
Stoich.:	ABC3D3E5F11 (1)
Weight, g/mol:	291.027391
ΔH_f, kcal/mol:	-200.52
Dipole, Da:	3.1
IP(EA), eV:	-10.42(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-(1-isocyanatocyclopropyl)-2-methoxy-5-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)Cl)C2=CC(=NO2)C(=O)O

DOS

IR

Vibrations