Geometry & MOs

Info

ID:	3315
PubChem CID:	9483
Reduced:	NOF3H4C8 (1)
Stoich.:	ABC3D4E8 (1)
Weight, g/mol:	187.024498
ΔH_f, kcal/mol:	-156.24
Dipole, Da:	3.27
IP(EA), eV:	-9.82(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isocyanato-3-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations