Geometry & MOs

Info

ID:	95595
PubChem CID:	50010582
Reduced:	F3O3N4C27H33 (1)
Stoich.:	A3B3C4D27E33 (1)
Weight, g/mol:	498.239769
ΔH_f, kcal/mol:	-270.41
Dipole, Da:	7.33
IP(EA), eV:	-9.03(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations