Geometry & MOs

Info

ID:	112516
PubChem CID:	50409947
Reduced:	BrFO3N4C28H34 (1)
Stoich.:	ABC3D4E28F34 (1)
Weight, g/mol:	508.284969
ΔH_f, kcal/mol:	-153.2
Dipole, Da:	4.81
IP(EA), eV:	-8.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-methylphenyl)-1-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations