Geometry & MOs

Info

ID:	199400
PubChem CID:	79241395
Reduced:	OSN3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	296.02727
ΔH_f, kcal/mol:	16.68
Dipole, Da:	2.76
IP(EA), eV:	-8.58(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)NC(C)C2=C(ON=C2C)C

DOS

IR

Vibrations