Geometry & MOs

Info

ID:	112486
PubChem CID:	50409291
Reduced:	FO4N5C34H40 (1)
Stoich.:	AB4C5D34E40 (1)
Weight, g/mol:	490.294391
ΔH_f, kcal/mol:	-172.21
Dipole, Da:	6.05
IP(EA), eV:	-9.06(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations