Geometry & MOs

Info

ID:	222064
PubChem CID:	85293738
Reduced:	O4C15H16 (2)
Stoich.:	A4B15C16 (2)
Weight, g/mol:	520.272593
ΔH_f, kcal/mol:	-244.89
Dipole, Da:	8.03
IP(EA), eV:	-8.72(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]-1-(4-pyrrolidin-1-ylphenyl)ethanone

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(C(C(C1=O)OCC2=CC=C(C=C2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations