Geometry & MOs

Info

ID:	295279
PubChem CID:	117524786
Reduced:	BrN3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	329.05276
ΔH_f, kcal/mol:	86.64
Dipole, Da:	0.93
IP(EA), eV:	-8.94(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN3C=CC(=CC3=N2)Br)C

DOS

IR

Vibrations