Geometry & MOs

Info

ID:	357649
PubChem CID:	127294322
Reduced:	OF3N7C15H16 (1)
Stoich.:	AB3C7D15E16 (1)
Weight, g/mol:	381.152493
ΔH_f, kcal/mol:	-60.87
Dipole, Da:	7.78
IP(EA), eV:	-9.58(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

DOS

IR

Vibrations