Geometry & MOs

Info

ID:	296622
PubChem CID:	117586041
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-6.4
Dipole, Da:	6.44
IP(EA), eV:	-8.78(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NCC2=CNC=C2)NCCCO

DOS

IR

Vibrations