Geometry & MOs

Info

ID:	119585
PubChem CID:	50692014
Reduced:	ClO3N4C28H35 (1)
Stoich.:	AB3C4D28E35 (1)
Weight, g/mol:	566.190768
ΔH_f, kcal/mol:	-127.96
Dipole, Da:	6.41
IP(EA), eV:	-8.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(piperidine-1-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=C(C=CC(=C3)C(=O)N4CCCCC4)Cl)C

DOS

IR

Vibrations