Geometry & MOs

Info

ID:	187633
PubChem CID:	77601623
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	455.260649
ΔH_f, kcal/mol:	-99.2
Dipole, Da:	6.06
IP(EA), eV:	-9.6(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-4-piperidin-4-yl-2-[4-[2-(1,3-thiazol-2-yl)ethyl]phenyl]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1(C=CCC2C1NC(=O)CC2)OCC3=CC=CC=C3

DOS

IR

Vibrations