Geometry & MOs

Info

ID:	399703
PubChem CID:	135041906
Reduced:	BrN2H9C15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	180.063388
ΔH_f, kcal/mol:	139.64
Dipole, Da:	1.68
IP(EA), eV:	-8.96(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CN2C#CC3=CC(=CC=C3)Br

DOS

IR

Vibrations