Geometry & MOs

Info

ID:	149194
PubChem CID:	53788866
Reduced:	SN3O5C20H27 (1)
Stoich.:	AB3C5D20E27 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-163.08
Dipole, Da:	8.32
IP(EA), eV:	-9.4(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[2-[(2-phenylphenyl)methoxy]ethyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1S(=O)(=O)C)C)C)C(=O)C2=C(N(N=C2C)C)OCC(=O)N(C)C

DOS

IR

Vibrations