Geometry & MOs

Info

ID:	323335
PubChem CID:	126674247
Reduced:	BrN6C14H15 (1)
Stoich.:	AB6C14D15 (1)
Weight, g/mol:	460.168145
ΔH_f, kcal/mol:	213.06
Dipole, Da:	7.39
IP(EA), eV:	-8.91(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1,3-benzodioxol-5-yl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Drug info:

PubChemData

Smile

C1CC2CN(CC1C2NC3=NN4C=CC=C(C4=N3)Br)C#N

DOS

IR

Vibrations