Geometry & MOs

Info

ID:	446975
PubChem CID:	135279241
Reduced:	FO3N6C26H37 (1)
Stoich.:	AB3C6D26E37 (1)
Weight, g/mol:	697.32642
ΔH_f, kcal/mol:	-131.82
Dipole, Da:	2.11
IP(EA), eV:	-8.65(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dioxopiperidin-3-yl)-5-[4-[5-[4-(6-hydroxy-2-phenylnaphthalen-1-yl)phenoxy]pentyl]piperazin-1-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2CCN(CC2)CC(CO)F)NC3=CC(=NC(=N3)C)N4CCOC(C4)CO)C=N

DOS

IR

Vibrations