Geometry & MOs

Info

ID:	156368
PubChem CID:	56370299
Reduced:	N3O3C26H39 (1)
Stoich.:	A3B3C26D39 (1)
Weight, g/mol:	415.215887
ΔH_f, kcal/mol:	-111.21
Dipole, Da:	6.13
IP(EA), eV:	-8.25(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-(4-fluorophenoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)N2CCCCC2CCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations