Geometry & MOs

Info

ID:	32085
PubChem CID:	4265975
Reduced:	N3O5H23C27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-5.32
Dipole, Da:	2.87
IP(EA), eV:	-8.43(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=NNC(=O)CC2=CC=CC=C2[N+](=O)[O-])OCC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations