Geometry & MOs

Info

ID:	192548
PubChem CID:	78284828
Reduced:	NO3Cl4H11C13 (1)
Stoich.:	AB3C4D11E13 (1)
Weight, g/mol:	400.070023
ΔH_f, kcal/mol:	-121.85
Dipole, Da:	2.94
IP(EA), eV:	-9.12(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(1,4-dioxophthalazin-2-ium-2-yl)acetate

Drug info:

PubChemData

Smile

CC1(CC1(Cl)Cl)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations