Geometry & MOs

Info

ID:	324026
PubChem CID:	126676782
Reduced:	F3N7H14C17 (1)
Stoich.:	A3B7C14D17 (1)
Weight, g/mol:	359.185844
ΔH_f, kcal/mol:	-4.22
Dipole, Da:	6.07
IP(EA), eV:	-9.04(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C(=N2)C(F)(F)F)CC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations