Geometry & MOs

Info

ID:	16462
PubChem CID:	470086
Reduced:	ClNOC5H13 (2)
Stoich.:	ABCD5E13 (2)
Weight, g/mol:	276.137134
ΔH_f, kcal/mol:	-193.89
Dipole, Da:	3.25
IP(EA), eV:	-9.3(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;dihydrochloride

Drug info:

PubChemData

Smile

CC[C@H](CO)NCCN[C@@H](CC)CO.Cl.Cl

DOS

IR

Vibrations