Geometry & MOs

Info

ID:	145986
PubChem CID:	53621238
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	49.93
Dipole, Da:	3.14
IP(EA), eV:	-8.72(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-3-yl-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone

Drug info:

PubChemData

Smile

CCNC1=NN=C2CCN(CC2=C1)C(=O)C3=CN=C(C=C3)NC4CC4

DOS

IR

Vibrations