Geometry & MOs

Info

ID:	265187
PubChem CID:	103512933
Reduced:	NO2H3F4C9 (1)
Stoich.:	AB2C3D4E9 (1)
Weight, g/mol:	169.073893
ΔH_f, kcal/mol:	-236.79
Dipole, Da:	4.41
IP(EA), eV:	-10.94(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxolan-2-yl)propanoyl isocyanate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations