Geometry & MOs

Info

ID:	211436
PubChem CID:	80950268
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	252.195011
ΔH_f, kcal/mol:	-83.87
Dipole, Da:	2.42
IP(EA), eV:	-9.37(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CCCCOCCOC1=NC(=NC(=C1)N)CCC

DOS

IR

Vibrations