Geometry & MOs

Info

ID:	163193
PubChem CID:	57654455
Reduced:	O3N5C9H19 (1)
Stoich.:	A3B5C9D19 (1)
Weight, g/mol:	338.127994
ΔH_f, kcal/mol:	-114.28
Dipole, Da:	3.91
IP(EA), eV:	-9.34(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline

Drug info:

PubChemData

Smile

CC(=NC[C@@H]1[C@H]([C@@H]([C@H](O1)CN=C(N)N)O)O)N

DOS

IR

Vibrations