Geometry & MOs

Info

ID:	209866
PubChem CID:	80732873
Reduced:	ClOF2N3H8C12 (1)
Stoich.:	ABC2D3E8F12 (1)
Weight, g/mol:	227.08254
ΔH_f, kcal/mol:	-71.05
Dipole, Da:	3.62
IP(EA), eV:	-9.69(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(tert-butylamino)-6-chloro-2-methylpyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=N1)Cl)C=O)NC2=C(C=CC=C2F)F

DOS

IR

Vibrations