Geometry & MOs

Info

ID:	209861
PubChem CID:	80732681
Reduced:	ClO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	372.94789
ΔH_f, kcal/mol:	-22.46
Dipole, Da:	3.89
IP(EA), eV:	-8.75(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(2-iodoanilino)-2-methylpyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=N1)Cl)C=O)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations