Geometry & MOs

Info

ID:	312835
PubChem CID:	126609091
Reduced:	BrO5C10H15 (1)
Stoich.:	AB5C10D15 (1)
Weight, g/mol:	153.090212
ΔH_f, kcal/mol:	-227.58
Dipole, Da:	7.8
IP(EA), eV:	-10.35(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,4-triazol-1-yl)pent-4-en-2-ol

Drug info:

PubChemData

Smile

CC(C1COC(=O)OC1)C(=O)OCCCBr

DOS

IR

Vibrations