Geometry & MOs

Info

ID:	24272
PubChem CID:	608953
Reduced:	NO2F3H4C8 (1)
Stoich.:	AB2C3D4E8 (1)
Weight, g/mol:	203.019413
ΔH_f, kcal/mol:	-194.06
Dipole, Da:	4.32
IP(EA), eV:	-9.66(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isocyanato-2-(trifluoromethoxy)benzene

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N=C=O)OC(F)(F)F

DOS

IR

Vibrations