Geometry & MOs

Info

ID:	250727
PubChem CID:	103098617
Reduced:	BrO2N4C7H11 (1)
Stoich.:	AB2C4D7E11 (1)
Weight, g/mol:	260.02727
ΔH_f, kcal/mol:	-49.63
Dipole, Da:	3.95
IP(EA), eV:	-9.09(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[2-(oxolan-2-yl)ethyl]-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CC(C)OC(=O)CN1C(=NC(=N1)N)Br

DOS

IR

Vibrations