Geometry & MOs

Info

ID:	251480
PubChem CID:	103104276
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	243.088688
ΔH_f, kcal/mol:	-2.79
Dipole, Da:	3.4
IP(EA), eV:	-8.54(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCCNC1=NC2=CC=CC=C2C(=N1)N(CC)CC(=O)N

DOS

IR

Vibrations