Geometry & MOs

Info

ID:	111453
PubChem CID:	50368574
Reduced:	ClN2O2C13H15 (2)
Stoich.:	AB2C2D13E15 (2)
Weight, g/mol:	535.279469
ΔH_f, kcal/mol:	-150.6
Dipole, Da:	5.27
IP(EA), eV:	-9.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-4-(methylcarbamoyl)phenyl]-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)NC3=C(C=CC(=C3)Cl)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations