Geometry & MOs

Info

ID:	180987
PubChem CID:	76713790
Reduced:	ClN2F3O3C29H44 (1)
Stoich.:	AB2C3D3E29F44 (1)
Weight, g/mol:	508.366493
ΔH_f, kcal/mol:	-327.88
Dipole, Da:	5.24
IP(EA), eV:	-9.06(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNCC(CC1CCC(CC1)(F)F)CC(=O)N2CCCC(C2)C(CCCCOC)(C3=C(C(=CC=C3)Cl)F)O

DOS

IR

Vibrations