Geometry & MOs

Info

ID:	167047
PubChem CID:	74772258
Reduced:	N3O5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	387.038389
ΔH_f, kcal/mol:	-125.38
Dipole, Da:	5.28
IP(EA), eV:	-8.97(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7-chloro-1,3-benzodioxol-5-yl)methyl 2-(1,4-dioxophthalazin-2-ium-2-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)C=CC3=CC=CC=C3)C

DOS

IR

Vibrations