Geometry & MOs

Info

ID:	209574
PubChem CID:	80689071
Reduced:	O2N4C13H24 (1)
Stoich.:	A2B4C13D24 (1)
Weight, g/mol:	284.221226
ΔH_f, kcal/mol:	-62.58
Dipole, Da:	2.97
IP(EA), eV:	-9.29(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpentoxy)-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol

Drug info:

PubChemData

Smile

CC(C(=O)NCCCOC)NCCC1=CN(N=C1)C

DOS

IR

Vibrations