Geometry & MOs

Info

ID:	90147
PubChem CID:	49966743
Reduced:	F2O3N4C28H34 (1)
Stoich.:	A2B3C4D28E34 (1)
Weight, g/mol:	520.304956
ΔH_f, kcal/mol:	-197.59
Dipole, Da:	9.4
IP(EA), eV:	-8.88(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations