Geometry & MOs

Info

ID:	292615
PubChem CID:	117356010
Reduced:	ClFNO2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	241.030584
ΔH_f, kcal/mol:	-68.6
Dipole, Da:	2.57
IP(EA), eV:	-9.22(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-fluoro-4-(1-isocyanatocyclopropyl)-3-methoxybenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)C2(CC2)N=C=O)F

DOS

IR

Vibrations