Geometry & MOs

Info

ID:	357648
PubChem CID:	127294321
Reduced:	OF3N7C14H14 (1)
Stoich.:	AB3C7D14E14 (1)
Weight, g/mol:	367.136843
ΔH_f, kcal/mol:	-49.06
Dipole, Da:	9.97
IP(EA), eV:	-9.56(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylpyrazol-1-yl)methyl]-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine

Drug info:

PubChemData

Smile

C1COC(CN1C2=NN3C(=NN=C3C(F)(F)F)C=C2)CN4C=CC=N4

DOS

IR

Vibrations