Geometry & MOs

Info

ID:	250737
PubChem CID:	103098715
Reduced:	BrF3N4H8C10 (1)
Stoich.:	AB3C4D8E10 (1)
Weight, g/mol:	303.01196
ΔH_f, kcal/mol:	-89.96
Dipole, Da:	3.26
IP(EA), eV:	-9.15(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CN2C(=NC(=N2)N)Br

DOS

IR

Vibrations