Geometry & MOs

Info

ID:	37766
PubChem CID:	8024186
Reduced:	N3O4H15C18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-87.63
Dipole, Da:	4.53
IP(EA), eV:	-8.88(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations