Geometry & MOs

Info

ID:	46286
PubChem CID:	10523731
Reduced:	ClN2O2F3C17H22 (1)
Stoich.:	AB2C2D3E17F22 (1)
Weight, g/mol:	342.155512
ΔH_f, kcal/mol:	-194.51
Dipole, Da:	4.85
IP(EA), eV:	-9.33(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol

Drug info:

PubChemData

Smile

C1CC1C(=NOCC(C[NH2+]C2=CC=C(C=C2)C(F)(F)F)O)C3CC3.[Cl-]

DOS

IR

Vibrations