Geometry & MOs

Info

ID:	128924
PubChem CID:	51063681
Reduced:	ClN2O4H5C6 (1)
Stoich.:	AB2C4D5E6 (1)
Weight, g/mol:	255.061946
ΔH_f, kcal/mol:	-127.46
Dipole, Da:	3.75
IP(EA), eV:	-10.59(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C(=O)O)Cl)C(=O)O

DOS

IR

Vibrations