Geometry & MOs

Info

ID:	318221
PubChem CID:	126649719
Reduced:	ClN7H18C22 (1)
Stoich.:	AB7C18D22 (1)
Weight, g/mol:	404.207307
ΔH_f, kcal/mol:	170.94
Dipole, Da:	4.21
IP(EA), eV:	-9.01(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N)Cl

DOS

IR

Vibrations