Geometry & MOs

Info

ID:	218733
PubChem CID:	85089883
Reduced:	NO8C27H35 (1)
Stoich.:	AB8C27D35 (1)
Weight, g/mol:	501.230394
ΔH_f, kcal/mol:	-294.85
Dipole, Da:	3.82
IP(EA), eV:	-8.77(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(OC(C(O1)C(COCOC)(C=O)NC(=O)C2=CC=CC=C2)CCOCC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations