Geometry & MOs

Info

ID:	91091
PubChem CID:	49973235
Reduced:	ClN4O4C27H33 (1)
Stoich.:	AB4C4D27E33 (1)
Weight, g/mol:	492.273656
ΔH_f, kcal/mol:	-144.87
Dipole, Da:	8.71
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations