Geometry & MOs

Info

ID:	216154
PubChem CID:	85085807
Reduced:	BrO3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	235.106925
ΔH_f, kcal/mol:	-125.65
Dipole, Da:	1.59
IP(EA), eV:	-10.6(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(7-aminotriazolo[4,5-b]pyridin-2-yl)oxolan-2-yl]methanol

Drug info:

PubChemData

Smile

CC(C(=O)OC1CC(C=C1)O)Br

DOS

IR

Vibrations