Geometry & MOs

Info

ID:	408359
PubChem CID:	135081125
Reduced:	NO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	235.105587
ΔH_f, kcal/mol:	-41.1
Dipole, Da:	1.48
IP(EA), eV:	-9.72(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,5S)-2,4,5-trihydroxy-6-(methoxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]([C@H](CO)C#N)O

DOS

IR

Vibrations