Geometry & MOs

Info

ID:	357647
PubChem CID:	127294320
Reduced:	F3N8C16H19 (1)
Stoich.:	A3B8C16D19 (1)
Weight, g/mol:	353.121193
ΔH_f, kcal/mol:	-32.34
Dipole, Da:	9.47
IP(EA), eV:	-9.51(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

DOS

IR

Vibrations