Geometry & MOs

Info

ID:	250703
PubChem CID:	103098442
Reduced:	BrO2N4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	250.00654
ΔH_f, kcal/mol:	-1.83
Dipole, Da:	2.74
IP(EA), eV:	-8.49(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-amino-5-bromo-1,2,4-triazol-1-yl)ethoxy]ethanol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2C(=NC(=N2)N)Br)OC

DOS

IR

Vibrations