Geometry & MOs

Info

ID:	180997
PubChem CID:	76713809
Reduced:	ClFNO3C22H33 (1)
Stoich.:	ABCD3E22F33 (1)
Weight, g/mol:	524.361408
ΔH_f, kcal/mol:	-229.98
Dipole, Da:	2.57
IP(EA), eV:	-9.46(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC(C1CCCN(C1)C(=O)OC(C)(C)C)(C2=C(C(=CC=C2)Cl)F)O

DOS

IR

Vibrations