Geometry & MOs

Info

ID:	167066
PubChem CID:	74775438
Reduced:	ClO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	243.076967
ΔH_f, kcal/mol:	-108.65
Dipole, Da:	4.88
IP(EA), eV:	-8.32(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(6-oxo-3-phenylpyridazin-1-yl)propanoate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)C=C2CC3=C(C2=O)C=CC=C3O)OC

DOS

IR

Vibrations