Geometry & MOs

Info

ID:	323943
PubChem CID:	126676649
Reduced:	ON4C9H14 (2)
Stoich.:	AB4C9D14 (2)
Weight, g/mol:	349.128723
ΔH_f, kcal/mol:	-30.52
Dipole, Da:	3.86
IP(EA), eV:	-8.33(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-(1,3-benzodioxol-5-ylmethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)N2C=C(C=N2)CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations