Geometry & MOs

Info

ID:	323833
PubChem CID:	126676283
Reduced:	F2N3O3H17C18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	355.154544
ΔH_f, kcal/mol:	-162.08
Dipole, Da:	4.47
IP(EA), eV:	-9.69(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=CN(C1=O)CC2=CC=CC=C2)C(=O)NC3CC3(F)F

DOS

IR

Vibrations