Geometry & MOs

Info

ID:	276048
PubChem CID:	103820164
Reduced:	ON2F3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	244.03236
ΔH_f, kcal/mol:	-140.46
Dipole, Da:	10.41
IP(EA), eV:	-9.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N,6-N-diethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1CC1COCCCNC2=CC(=C(C=C2)C(F)(F)F)C#N

DOS

IR

Vibrations