Geometry & MOs

Info

ID:	294112
PubChem CID:	117427228
Reduced:	ClFNO2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	269.061885
ΔH_f, kcal/mol:	-105.15
Dipole, Da:	3.88
IP(EA), eV:	-9.27(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)F)C2(CCCC2)N=C=O)Cl

DOS

IR

Vibrations