Geometry & MOs

Info

ID:	156029
PubChem CID:	56368827
Reduced:	N3O3H19C23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-20.64
Dipole, Da:	1.34
IP(EA), eV:	-8.83(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)C(=O)NNC(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations