Geometry & MOs

Info

ID:	282006
PubChem CID:	103914656
Reduced:	NSO3C10H21 (1)
Stoich.:	ABC3D10E21 (1)
Weight, g/mol:	197.152812
ΔH_f, kcal/mol:	-154.86
Dipole, Da:	4.16
IP(EA), eV:	-9.3(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[1-(1-methylimidazol-2-yl)propylamino]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](CNC1CCCCC1S(=O)(=O)C)O

DOS

IR

Vibrations