Geometry & MOs

Info

ID:	291945
PubChem CID:	113899592
Reduced:	NCl2O2F3H4C11 (1)
Stoich.:	AB2C2D3E4F11 (1)
Weight, g/mol:	267.151767
ΔH_f, kcal/mol:	-167.12
Dipole, Da:	3.99
IP(EA), eV:	-10.02(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylsulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1C(=O)C2=CC=C(O2)Cl)Cl)C(F)(F)F

DOS

IR

Vibrations