Geometry & MOs

Info

ID:	182735
PubChem CID:	76932071
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	243.076967
ΔH_f, kcal/mol:	-45.07
Dipole, Da:	3.84
IP(EA), eV:	-8.63(0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-oxo-3-phenylpropyl)pyridazin-1-ium-3,6-dione

Drug info:

PubChemData

Smile

CCCC(C(=NO)N)C(=O)N(CC)C1=CC=C(C=C1)C

DOS

IR

Vibrations