Geometry & MOs

Info

ID:	369985
PubChem CID:	127337050
Reduced:	FON5C18H22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	327.155606
ΔH_f, kcal/mol:	-39.27
Dipole, Da:	6.24
IP(EA), eV:	-8.43(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations