Geometry & MOs

Info

ID:	189052
PubChem CID:	77809961
Reduced:	ClON6C17H21 (1)
Stoich.:	ABC6D17E21 (1)
Weight, g/mol:	383.160697
ΔH_f, kcal/mol:	35.41
Dipole, Da:	5.78
IP(EA), eV:	-8.78(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-ethoxy-3-[4-[2-(5-oxo-6H-phthalazin-2-ium-2-yl)ethoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC1C2C(CNN2)C(=O)N(C3=CC4=C(C=C3)N=CC=C4)C(=N)N.Cl

DOS

IR

Vibrations