Geometry & MOs

Info

ID:	138993
PubChem CID:	52456266
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	288.253869
ΔH_f, kcal/mol:	-105.22
Dipole, Da:	4.98
IP(EA), eV:	-9.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2S)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methoxy]propyl]-bis(2-methylpropyl)azanium

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)N[C@@H]3CCC4=CC=CC=C34

DOS

IR

Vibrations