Geometry & MOs

Info

ID:	267501
PubChem CID:	103582401
Reduced:	BrClN3H9C13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	286.95734
ΔH_f, kcal/mol:	85.06
Dipole, Da:	2.67
IP(EA), eV:	-8.99(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)CNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations