Geometry & MOs

Info

ID:	192597
PubChem CID:	78289712
Reduced:	FN2O5H15C23 (1)
Stoich.:	AB2C5D15E23 (1)
Weight, g/mol:	302.114081
ΔH_f, kcal/mol:	-108.14
Dipole, Da:	3.11
IP(EA), eV:	-8.9(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[2-(butan-2-ylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)F)OC(=O)C4=CN=CC=C4

DOS

IR

Vibrations