Geometry & MOs

Info

ID:	292997
PubChem CID:	117369574
Reduced:	NO2F3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	247.082013
ΔH_f, kcal/mol:	-212.4
Dipole, Da:	4.1
IP(EA), eV:	-9.25(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-aminocyclobutyl)-6-(trifluoromethyl)benzene-1,2-diol

Drug info:

PubChemData

Smile

C1CC1(CC2=CC(=C(C=C2C(F)(F)F)O)O)N

DOS

IR

Vibrations