Geometry & MOs

Info

ID:	106620
PubChem CID:	50170986
Reduced:	ClN2O2C13H15 (2)
Stoich.:	AB2C2D13E15 (2)
Weight, g/mol:	535.279469
ΔH_f, kcal/mol:	-147.23
Dipole, Da:	5.79
IP(EA), eV:	-9.13(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations