Geometry & MOs

Info

ID:	324147
PubChem CID:	126677028
Reduced:	ON4C15H18 (2)
Stoich.:	AB4C15D18 (2)
Weight, g/mol:	371.149458
ΔH_f, kcal/mol:	66.69
Dipole, Da:	7.15
IP(EA), eV:	-8.44(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=N/NC2=CC(=NC(=N2)C3=CC4=C(C=C3)C(=NN4C)CCN5CCOCC5)N6CCOCC6

DOS

IR

Vibrations