Geometry & MOs

Info

ID:	123530
PubChem CID:	50852549
Reduced:	NSCl2O3C24H27 (1)
Stoich.:	ABC2D3E24F27 (1)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-107.64
Dipole, Da:	1.69
IP(EA), eV:	-8.7(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-phenylphenyl)propyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)CCOC2CC3=C(C(=CC(=C3)Cl)Cl)SC4=CC=CC=C24

DOS

IR

Vibrations