Geometry & MOs

Info

ID:	43050
PubChem CID:	10318194
Reduced:	ClNO5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	389.125467
ΔH_f, kcal/mol:	-202.61
Dipole, Da:	6.25
IP(EA), eV:	-9.32(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CC2=CC=CC=C2C(=O)O)Cl

DOS

IR

Vibrations