Geometry & MOs

Info

ID:	37767
PubChem CID:	8024192
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-100.24
Dipole, Da:	3.39
IP(EA), eV:	-9.66(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 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