Geometry & MOs

Info

ID:	139566
PubChem CID:	52558485
Reduced:	S2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	288.096186
ΔH_f, kcal/mol:	60.25
Dipole, Da:	3.13
IP(EA), eV:	-8.49(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluorophenyl) 1-(3-fluorophenyl)cyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

CCCC1=NC(=CS1)CSC2=NC3=CC=CC=C3N2CC

DOS

IR

Vibrations