Geometry & MOs

Info

ID:	296133
PubChem CID:	117557451
Reduced:	ON4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	252.195011
ΔH_f, kcal/mol:	-54.09
Dipole, Da:	4.57
IP(EA), eV:	-8.92(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCNC1=CC(=NC(=N1)C)NCCCO

DOS

IR

Vibrations