Geometry & MOs

Info

ID:	90487
PubChem CID:	49969995
Reduced:	FO3N4C29H37 (1)
Stoich.:	AB3C4D29E37 (1)
Weight, g/mol:	538.271069
ΔH_f, kcal/mol:	-161.26
Dipole, Da:	6.35
IP(EA), eV:	-8.75(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations