Geometry & MOs

Info

ID:	109874
PubChem CID:	50300515
Reduced:	FO3N4C29H37 (1)
Stoich.:	AB3C4D29E37 (1)
Weight, g/mol:	519.284555
ΔH_f, kcal/mol:	-165.97
Dipole, Da:	8.22
IP(EA), eV:	-8.82(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)F)C)C

DOS

IR

Vibrations