Geometry & MOs

Info

ID:	323917
PubChem CID:	126676594
Reduced:	ClO2F4N4H17C22 (1)
Stoich.:	AB2C4D4E17F22 (1)
Weight, g/mol:	442.222957
ΔH_f, kcal/mol:	-175.88
Dipole, Da:	1.94
IP(EA), eV:	-9.1(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[[6-[2-(dimethylamino)ethoxy]naphthalen-2-yl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C=NCC1=CC(=C(C=C1Cl)OCC(=N)C2=C(N=CC=C2)N)C3=C(C=CC(=C3)OC(F)(F)F)F

DOS

IR

Vibrations