Geometry & MOs

Info

ID:	155099
PubChem CID:	56320685
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	436.194692
ΔH_f, kcal/mol:	-3.96
Dipole, Da:	7.05
IP(EA), eV:	-8.92(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CCCNC(=O)CCCC2=NN=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations