Geometry & MOs

Info

ID:	121829
PubChem CID:	50783040
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	-90.42
Dipole, Da:	6.87
IP(EA), eV:	-8.35(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CCN(CCN(C)C)C1=NC2=C(C=C(C=C2)NC(=O)C)C(=C1)C(=O)O

DOS

IR

Vibrations