Geometry & MOs

Info

ID:	111458
PubChem CID:	50368646
Reduced:	NOC7H9 (4)
Stoich.:	ABC7D9 (4)
Weight, g/mol:	548.224655
ΔH_f, kcal/mol:	-154.98
Dipole, Da:	5.11
IP(EA), eV:	-8.64(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4)C

DOS

IR

Vibrations