Geometry & MOs

Info

ID:	180995
PubChem CID:	76713807
Reduced:	N2F3O4C33H47 (1)
Stoich.:	A2B3C4D33E47 (1)
Weight, g/mol:	492.311871
ΔH_f, kcal/mol:	-334.59
Dipole, Da:	10.75
IP(EA), eV:	-8.56(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-1-[3-[(3-chlorophenyl)-(3-ethoxypropoxy)methyl]piperidin-1-yl]-4-cyclohexylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)CC(CC(=O)N1CCCC(C1)C(CCCCOC)(C2=CC=CC=C2OC3=CC=CC=C3C(F)(F)F)O)CNC

DOS

IR

Vibrations