Geometry & MOs

Info

ID:	281770
PubChem CID:	103914342
Reduced:	NSO3C13H27 (1)
Stoich.:	ABC3D13E27 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-171.97
Dipole, Da:	6.33
IP(EA), eV:	-9.1(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]hexan-1-ol

Drug info:

PubChemData

Smile

CCCC(CCO)CNC1CCCC1S(=O)(=O)C

DOS

IR

Vibrations