Geometry & MOs

Info

ID:	293000
PubChem CID:	117369655
Reduced:	SN3O3H5C10 (1)
Stoich.:	AB3C3D5E10 (1)
Weight, g/mol:	247.098412
ΔH_f, kcal/mol:	19.97
Dipole, Da:	1.62
IP(EA), eV:	-9.82(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-fluoro-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C3=CC(=NO3)C(=O)O)SN=N2

DOS

IR

Vibrations