Geometry & MOs

Info

ID:	359892
PubChem CID:	127299936
Reduced:	BrN6C15H21 (1)
Stoich.:	AB6C15D21 (1)
Weight, g/mol:	390.08037
ΔH_f, kcal/mol:	77.68
Dipole, Da:	7.57
IP(EA), eV:	-9.38(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1CCN2C(=NN=C2CN3CCC(CC3)N4C=C(C=N4)Br)C1

DOS

IR

Vibrations