Geometry & MOs

Info

ID:	294147
PubChem CID:	117427898
Reduced:	ClNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	268.98515
ΔH_f, kcal/mol:	-83.89
Dipole, Da:	0.73
IP(EA), eV:	-8.57(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-fluoro-1-(1-isocyanatocyclobutyl)benzene

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C=C1CC(C)(C)N)OCCO2)Cl

DOS

IR

Vibrations