Geometry & MOs

Info

ID:	292612
PubChem CID:	117356001
Reduced:	ClFNO2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	241.030584
ΔH_f, kcal/mol:	-68.07
Dipole, Da:	3.98
IP(EA), eV:	-9.44(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-fluoro-2-(1-isocyanatocyclopropyl)-3-methylphenol

Drug info:

PubChemData

Smile

C1CC1OC2=C(C=C(C=C2Cl)F)CN=C=O

DOS

IR

Vibrations