Geometry & MOs

Info

ID:	446990
PubChem CID:	135279350
Reduced:	FO3N6C26H33 (1)
Stoich.:	AB3C6D26E33 (1)
Weight, g/mol:	692.311104
ΔH_f, kcal/mol:	-85.59
Dipole, Da:	1.41
IP(EA), eV:	-8.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[6-[4-[3-[4-(6-hydroxy-2-phenylnaphthalen-1-yl)phenoxy]propyl]piperazin-1-yl]pyridin-3-yl]pyrazol-1-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)CCF)N(N=C2)C4=CC(=NC(=N4)OC)N5CCOC(C5)C(=O)C

DOS

IR

Vibrations