Geometry & MOs

Info

ID:	127471
PubChem CID:	51003409
Reduced:	N2O2H8C11 (2)
Stoich.:	A2B2C8D11 (2)
Weight, g/mol:	177.100108
ΔH_f, kcal/mol:	-51.26
Dipole, Da:	3.77
IP(EA), eV:	-8.73(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,5R)-3-(2-hydroxyethyl)piperidine-3,4,5-triol

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)C(=CN2CC3=CC=C(C=C3)C#N)/C=C\4/C(=O)NC(=O)N4

DOS

IR

Vibrations