Geometry & MOs

Info

ID:	294114
PubChem CID:	117427240
Reduced:	ClFNO2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	269.061885
ΔH_f, kcal/mol:	-103.68
Dipole, Da:	4.72
IP(EA), eV:	-9.3(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations