Geometry & MOs

Info

ID:	111457
PubChem CID:	50368636
Reduced:	ClFN5O5C29H35 (1)
Stoich.:	ABC5D5E29F35 (1)
Weight, g/mol:	492.273656
ΔH_f, kcal/mol:	-235.05
Dipole, Da:	3.8
IP(EA), eV:	-9.04(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations