Geometry & MOs

Info

ID:	324179
PubChem CID:	126677082
Reduced:	ON8C21H24 (1)
Stoich.:	AB8C21D24 (1)
Weight, g/mol:	403.223292
ΔH_f, kcal/mol:	112.71
Dipole, Da:	5.59
IP(EA), eV:	-8.98(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]methyl]pyrazol-4-yl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1CNC[C@@H]1COC2=CC=CC(=C2)CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N

DOS

IR

Vibrations