Geometry & MOs

Info

ID:	295280
PubChem CID:	117524787
Reduced:	BrN3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	336.96175
ΔH_f, kcal/mol:	80.39
Dipole, Da:	1.4
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations