Geometry & MOs

Info

ID:	394764
PubChem CID:	135023717
Reduced:	O3H10C12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	272.148455
ΔH_f, kcal/mol:	-67.2
Dipole, Da:	5.29
IP(EA), eV:	-9.06(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-(hydroxymethyl)-1-[2-(4-methyltriazol-1-yl)ethyl]piperidine-3,4,5-triol

Drug info:

PubChemData

Smile

CC1=C(OC(=O)O1)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations