Geometry & MOs

Info

ID:	281484
PubChem CID:	103913937
Reduced:	NSO3C12H27 (1)
Stoich.:	ABC3D12E27 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-173.68
Dipole, Da:	3.55
IP(EA), eV:	-9.5(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(C)CS(=O)(=O)CC)O

DOS

IR

Vibrations