Geometry & MOs

Info

ID:	180998
PubChem CID:	76713810
Reduced:	NO2C16H24 (2)
Stoich.:	AB2C16D24 (2)
Weight, g/mol:	481.355594
ΔH_f, kcal/mol:	-172.28
Dipole, Da:	5.8
IP(EA), eV:	-8.69(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[1-(1-benzofuran-7-yl)-1-hydroxyhexyl]piperidin-1-yl]-3-(cyclopentylmethyl)hexan-1-one

Drug info:

PubChemData

Smile

CC(C)CC(CC(=O)N1CCCC(C1)C(CCCCOC)(C2=CC=CC=C2OC3=CC=CC=C3)O)CNC

DOS

IR

Vibrations