Geometry & MOs

Info

ID:	444253
PubChem CID:	135261862
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	675.34207
ΔH_f, kcal/mol:	-76.55
Dipole, Da:	5.13
IP(EA), eV:	-9.92(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CN=C(C=C1)C#CCCO

DOS

IR

Vibrations