Geometry & MOs

Info

ID:	250728
PubChem CID:	103098624
Reduced:	BrON4C8H13 (1)
Stoich.:	ABC4D8E13 (1)
Weight, g/mol:	246.01162
ΔH_f, kcal/mol:	-9.84
Dipole, Da:	3.01
IP(EA), eV:	-8.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(oxolan-3-ylmethyl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1CC(OC1)CCN2C(=NC(=N2)N)Br

DOS

IR

Vibrations