Geometry & MOs

Info

ID:	210759
PubChem CID:	80852353
Reduced:	OSN5C12H21 (1)
Stoich.:	ABC5D12E21 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	-18.37
Dipole, Da:	4.57
IP(EA), eV:	-8.56(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)OC)NCC2CCCCS2

DOS

IR

Vibrations