Geometry & MOs

Info

ID:	294113
PubChem CID:	117427235
Reduced:	ClFNO2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	269.061885
ΔH_f, kcal/mol:	-100.91
Dipole, Da:	4.71
IP(EA), eV:	-9.44(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1C2(CCCC2)N=C=O)F)Cl

DOS

IR

Vibrations