Geometry & MOs

Info

ID:	294115
PubChem CID:	117427243
Reduced:	ClFNO2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	269.061885
ΔH_f, kcal/mol:	-105.97
Dipole, Da:	4.89
IP(EA), eV:	-9.21(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations