Geometry & MOs

Info

ID:	344639
PubChem CID:	127268224
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	343.212058
ΔH_f, kcal/mol:	56.16
Dipole, Da:	5.72
IP(EA), eV:	-8.81(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CN1C(=NC2=CC=CC=C2C1=O)CN3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations