Geometry & MOs

Info

ID:	288829
PubChem CID:	104326529
Reduced:	FN2O5C13H17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	295.052383
ΔH_f, kcal/mol:	-245.56
Dipole, Da:	3.5
IP(EA), eV:	-8.65(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(4-ethoxy-3-fluoroanilino)pyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)NC(C(C)O)C(=O)O)F

DOS

IR

Vibrations