Geometry & MOs

Info

ID:	140829
PubChem CID:	52767965
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-179.07
Dipole, Da:	3.49
IP(EA), eV:	-8.51(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NCCC(=O)OCC

DOS

IR

Vibrations