Geometry & MOs

Info

ID:	209867
PubChem CID:	80732874
Reduced:	ClON3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	314.973295
ΔH_f, kcal/mol:	-35.93
Dipole, Da:	3.45
IP(EA), eV:	-9.55(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(2,5-dichloroanilino)-2-methylpyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=N1)Cl)C=O)NC(C)(C)C

DOS

IR

Vibrations