Geometry & MOs

Info

ID:	106849
PubChem CID:	50179001
Reduced:	F3O3N4C29H35 (1)
Stoich.:	A3B3C4D29E35 (1)
Weight, g/mol:	504.310041
ΔH_f, kcal/mol:	-273.52
Dipole, Da:	4.4
IP(EA), eV:	-9.17(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-1-[2-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(F)(F)F)C

DOS

IR

Vibrations