Geometry & MOs

Info

ID:	59883
PubChem CID:	24902191
Reduced:	ClN2F3H6C11 (1)
Stoich.:	AB2C3D6E11 (1)
Weight, g/mol:	236.015269
ΔH_f, kcal/mol:	-99.93
Dipole, Da:	3.53
IP(EA), eV:	-10.39(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-chloropyrimidin-4-yl)-2-fluorobenzaldehyde

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=NC=N2)Cl

DOS

IR

Vibrations