Geometry & MOs

Info

ID:	288544
PubChem CID:	104319249
Reduced:	O3C13H24 (1)
Stoich.:	A3B13C24 (1)
Weight, g/mol:	228.158626
ΔH_f, kcal/mol:	-176.91
Dipole, Da:	3.33
IP(EA), eV:	-10.57(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCC1(CCCCCCC1)C(=O)O)O

DOS

IR

Vibrations