Geometry & MOs

Info

ID:	265186
PubChem CID:	103512931
Reduced:	NO2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	233.009991
ΔH_f, kcal/mol:	-68.09
Dipole, Da:	3.23
IP(EA), eV:	-10.97(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-(trifluoromethyl)benzoyl isocyanate

Drug info:

PubChemData

Smile

C1CC2CC1CC2C(=O)N=C=O

DOS

IR

Vibrations