Geometry & MOs

Info

ID:	370200
PubChem CID:	127337714
Reduced:	OSN6C17H24 (1)
Stoich.:	ABC6D17E24 (1)
Weight, g/mol:	372.148078
ΔH_f, kcal/mol:	21.42
Dipole, Da:	3.02
IP(EA), eV:	-8.64(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(C)NC(=O)N(C)C2CCCN(C2)C3=NN=CC=C3

DOS

IR

Vibrations