Geometry & MOs

Info

ID:	210495
PubChem CID:	80814894
Reduced:	ClON4C11H11 (1)
Stoich.:	ABC4D11E11 (1)
Weight, g/mol:	248.124881
ΔH_f, kcal/mol:	12.51
Dipole, Da:	1.79
IP(EA), eV:	-8.7(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-ethyl-2-N,6-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Cl)NC2=NC=NC(=C2)N

DOS

IR

Vibrations