Geometry & MOs

Info

ID:	294116
PubChem CID:	117427246
Reduced:	ClFNO2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	269.061885
ΔH_f, kcal/mol:	-92.27
Dipole, Da:	5.7
IP(EA), eV:	-9.7(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-fluoro-1-(1-isocyanatocyclobutyl)-3-(methoxymethyl)benzene

Drug info:

PubChemData

Smile

COCC1=CC(=C(C(=C1)Cl)F)C2(CCC2)N=C=O

DOS

IR

Vibrations