Geometry & MOs

Info

ID:	37768
PubChem CID:	8024194
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	-99.64
Dipole, Da:	4.25
IP(EA), eV:	-9.62(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-diethylphenyl)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations