Geometry & MOs

Info

ID:	398311
PubChem CID:	135032779
Reduced:	NO4C20H33 (1)
Stoich.:	AB4C20D33 (1)
Weight, g/mol:	104.071154
ΔH_f, kcal/mol:	-206.22
Dipole, Da:	4.52
IP(EA), eV:	-8.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R,3R)-2-amino-3-hydroxybutylidene]oxidanium

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C)C(=O)OC/C=C(\C)/C(=O)OC[C@@H]1CCN2[C@@H]1CCC2

DOS

IR

Vibrations