Geometry & MOs

Info

ID:	292614
PubChem CID:	117356008
Reduced:	ClFNO2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	241.030584
ΔH_f, kcal/mol:	-71.44
Dipole, Da:	3.91
IP(EA), eV:	-9.5(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-fluoro-5-(1-isocyanatocyclopropyl)-2-methoxybenzene

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1C2(CC2)N=C=O)F)Cl

DOS

IR

Vibrations