Geometry & MOs

Info

ID:	175109
PubChem CID:	75856387
Reduced:	N2O5H14C20 (1)
Stoich.:	A2B5C14D20 (1)
Weight, g/mol:	435.143035
ΔH_f, kcal/mol:	-70.16
Dipole, Da:	8.39
IP(EA), eV:	-9.63(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl] 4-oxo-1H-phthalazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)C3C4=CC=CC=C4C(=O)N=N3

DOS

IR

Vibrations