Geometry & MOs

Info

ID:	318174
PubChem CID:	126649394
Reduced:	ClF2N2O4H23C26 (1)
Stoich.:	AB2C2D4E23F26 (1)
Weight, g/mol:	284.149793
ΔH_f, kcal/mol:	-212.47
Dipole, Da:	7.33
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)N(C)C3=CC=C(C=C3)Cl)(F)F

DOS

IR

Vibrations