Geometry & MOs

Info

ID:	420643
PubChem CID:	135114564
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	351.183444
ΔH_f, kcal/mol:	-93.45
Dipole, Da:	6.42
IP(EA), eV:	-9.0(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[4-(2-methylphenyl)benzoyl]piperidin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CCCNC(=O)CN(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations