Geometry & MOs

Info

ID:	136873
PubChem CID:	52116416
Reduced:	ClO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	359.208316
ΔH_f, kcal/mol:	-15.75
Dipole, Da:	3.76
IP(EA), eV:	-9.53(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanoylamino]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)CCN2C(=O)C=CC(=N2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations