Geometry & MOs

Info

ID:	180994
PubChem CID:	76713806
Reduced:	ClFN2O3C30H48 (1)
Stoich.:	ABC2D3E30F48 (1)
Weight, g/mol:	592.348792
ΔH_f, kcal/mol:	-226.35
Dipole, Da:	6.41
IP(EA), eV:	-9.03(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[1-hydroxy-5-methoxy-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]pentyl]piperidin-1-yl]-5-methyl-3-(methylaminomethyl)hexan-1-one

Drug info:

PubChemData

Smile

CC(C(CC1CCCCC1)CC(=O)N2CCCC(C2)C(CCCCOC)(C3=C(C(=CC=C3)Cl)F)O)NC

DOS

IR

Vibrations