Geometry & MOs

Info

ID:	446936
PubChem CID:	135278937
Reduced:	NOC7H15 (2)
Stoich.:	ABC7D15 (2)
Weight, g/mol:	671.310769
ΔH_f, kcal/mol:	-144.05
Dipole, Da:	5.12
IP(EA), eV:	-8.65(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[5-[4-(6-hydroxy-2-phenylnaphthalen-1-yl)phenoxy]pentyl]piperazin-1-yl]-6-oxopyridazin-1-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)NCCCCNC(=O)COC(C)(C)C

DOS

IR

Vibrations