Geometry & MOs

Info

ID:	158000
PubChem CID:	56459389
Reduced:	OF2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	411.093889
ΔH_f, kcal/mol:	-82.35
Dipole, Da:	2.06
IP(EA), eV:	-8.64(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dichlorophenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F

DOS

IR

Vibrations