Geometry & MOs

Info

ID:	73014
PubChem CID:	48416803
Reduced:	ON7H17C19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	405.127341
ΔH_f, kcal/mol:	107.25
Dipole, Da:	3.31
IP(EA), eV:	-8.44(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations