Geometry & MOs

Info

ID:	250714
PubChem CID:	103098533
Reduced:	BrON5C10H16 (1)
Stoich.:	ABC5D10E16 (1)
Weight, g/mol:	282.01162
ΔH_f, kcal/mol:	-16.08
Dipole, Da:	3.48
IP(EA), eV:	-9.18(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2C(=NC(=N2)N)Br

DOS

IR

Vibrations