Geometry & MOs

Info

ID:	138859
PubChem CID:	52435089
Reduced:	ON2H10C13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	287.103182
ΔH_f, kcal/mol:	93.22
Dipole, Da:	3.95
IP(EA), eV:	-8.6(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)/C=C/C4=CC=C(O4)C5=CC=CC=C5

DOS

IR

Vibrations