Geometry & MOs

Info

ID:	59873
PubChem CID:	24901932
Reduced:	Cl2N2F3H5C11 (1)
Stoich.:	A2B2C3D5E11 (1)
Weight, g/mol:	252.010183
ΔH_f, kcal/mol:	-104.52
Dipole, Da:	2.44
IP(EA), eV:	-10.31(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloropyrimidin-4-yl)-2-fluorobenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)Cl)C2=NC(=NC=C2)Cl

DOS

IR

Vibrations