Geometry & MOs

Info

ID:	193081
PubChem CID:	78339070
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	412.114475
ΔH_f, kcal/mol:	-142.91
Dipole, Da:	6.43
IP(EA), eV:	-8.91(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC2NC3CCN(CC3C(=O)N2)C(=O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations