Geometry & MOs

Info

ID:	79835
PubChem CID:	49830723
Reduced:	NO3F4H17C19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	327.01533
ΔH_f, kcal/mol:	-271.65
Dipole, Da:	3.24
IP(EA), eV:	-9.48(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-(5-methyl-1,3-thiazol-2-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1C(CN1CC2=C(C=C(C=C2)OCC3=CC(=CC=C3)C(F)(F)F)F)C(=O)O

DOS

IR

Vibrations