Geometry & MOs

Info

ID:	294111
PubChem CID:	117427220
Reduced:	ClFON3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	269.061885
ΔH_f, kcal/mol:	-32.75
Dipole, Da:	1.67
IP(EA), eV:	-8.81(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-fluoro-5-(1-isocyanatocyclopentyl)-2-methoxybenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Cl)OC)F)C2=NN(C(=C2)N)C

DOS

IR

Vibrations