Geometry & MOs

Info

ID:	128925
PubChem CID:	51063682
Reduced:	OF3N3H8C11 (1)
Stoich.:	AB3C3D8E11 (1)
Weight, g/mol:	255.061946
ΔH_f, kcal/mol:	-119.48
Dipole, Da:	1.58
IP(EA), eV:	-8.76(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N)OC2=NC=CC(=N2)C(F)(F)F

DOS

IR

Vibrations