Geometry & MOs

Info

ID:	296101
PubChem CID:	117556628
Reduced:	BrON4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	17.53
Dipole, Da:	4.62
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(butylamino)pyrimidin-4-yl]-methylamino]propan-1-ol

Drug info:

PubChemData

Smile

CN(CCO)C1=NC=NC(=C1)NC2=CC(=CC=C2)Br

DOS

IR

Vibrations