Geometry & MOs

Info

ID:	57696
PubChem CID:	22433430
Reduced:	SN2O3C27H32 (1)
Stoich.:	AB2C3D27E32 (1)
Weight, g/mol:	293.126323
ΔH_f, kcal/mol:	-59.83
Dipole, Da:	3.35
IP(EA), eV:	-8.46(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCN(C1=NC(=CS1)C2=CC=C(C=C2)C3CCCCC3)C(=O)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations