Geometry & MOs

Info

ID:	292617
PubChem CID:	117356015
Reduced:	ClFNO2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	241.030584
ΔH_f, kcal/mol:	-73.31
Dipole, Da:	4.54
IP(EA), eV:	-9.26(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C2(CC2)N=C=O)F)Cl

DOS

IR

Vibrations