Geometry & MOs

Info

ID:	292996
PubChem CID:	117369568
Reduced:	NO2F3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	247.082013
ΔH_f, kcal/mol:	-205.98
Dipole, Da:	7.17
IP(EA), eV:	-8.89(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-aminocyclopropyl)methyl]-5-(trifluoromethyl)benzene-1,2-diol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1O)/C=C/CN)C(F)(F)F

DOS

IR

Vibrations