Geometry & MOs

Info

ID:	121833
PubChem CID:	50783174
Reduced:	ClON6C19H21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	492.296122
ΔH_f, kcal/mol:	54.77
Dipole, Da:	12.29
IP(EA), eV:	-8.72(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1CCN(CC1)C2=NN3C(=NN=C3C4=CC=C(C=C4)Cl)C=C2

DOS

IR

Vibrations