Geometry & MOs

Info

ID:	282334
PubChem CID:	103922636
Reduced:	NOC10H23 (1)
Stoich.:	ABC10D23 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-88.29
Dipole, Da:	3.45
IP(EA), eV:	-9.03(2.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]butan-1-ol

Drug info:

PubChemData

Smile

CCCC(CC)N[C@H](CC)CO

DOS

IR

Vibrations