Geometry & MOs

Info

ID:	446845
PubChem CID:	135278170
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	772.16066
ΔH_f, kcal/mol:	-111.19
Dipole, Da:	5.17
IP(EA), eV:	-7.92(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[4-[4-[[2-(4-bromophenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]oxy]phenoxy]piperidin-1-yl]azetidin-1-yl]-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

COC(C1CCN(CC1)C2=CC=C(C=C2)O)OC

DOS

IR

Vibrations