Geometry & MOs

Info

ID:	345607
PubChem CID:	127269907
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	342.191657
ΔH_f, kcal/mol:	-23.32
Dipole, Da:	5.5
IP(EA), eV:	-9.49(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyridazin-3-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)NCC2=NN=C3N2CCCC3

DOS

IR

Vibrations