Geometry & MOs

Info

ID:	63680
PubChem CID:	26758962
Reduced:	NO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-142.22
Dipole, Da:	5.31
IP(EA), eV:	-8.94(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCCCC1)OC(=O)C2=CC3=CC=CC=C3C=C2OC

DOS

IR

Vibrations