Geometry & MOs

Info

ID:	180990
PubChem CID:	76713793
Reduced:	F2N2O3C27H42 (1)
Stoich.:	A2B2C3D27E42 (1)
Weight, g/mol:	514.320686
ΔH_f, kcal/mol:	-253.43
Dipole, Da:	2.09
IP(EA), eV:	-9.31(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[1-[2-(3-fluorophenoxy)phenyl]-1-hydroxy-5-methoxypentyl]piperidin-1-yl]-3,3-dimethyl-4-(methylamino)butan-1-one

Drug info:

PubChemData

Smile

COCCCOC(C1CCCN(C1)C(=O)CC(CC2CCCCC2)CN)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations