Geometry & MOs

Info

ID:	323964
PubChem CID:	126676681
Reduced:	N3C13H21 (1)
Stoich.:	A3B13C21 (1)
Weight, g/mol:	346.165443
ΔH_f, kcal/mol:	49.68
Dipole, Da:	2.98
IP(EA), eV:	-8.6(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C\C(=C/C)\C/C(=C(/C(=NC)N)\N)/C=C

DOS

IR

Vibrations