Geometry & MOs

Info

ID:	187701
PubChem CID:	77612458
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	365.91366
ΔH_f, kcal/mol:	12.16
Dipole, Da:	5.3
IP(EA), eV:	-9.2(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-2-(2-bromoethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CCOCC2C#N

DOS

IR

Vibrations