Geometry & MOs

Info

ID:	210428
PubChem CID:	80805402
Reduced:	ON5C11H19 (1)
Stoich.:	AB5C11D19 (1)
Weight, g/mol:	283.04326
ΔH_f, kcal/mol:	-23.62
Dipole, Da:	3.23
IP(EA), eV:	-8.86(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-ethylamino]propanenitrile

Drug info:

PubChemData

Smile

CCNC(=O)CN(C)C1=NC(=NC(=C1)C)NC

DOS

IR

Vibrations