Geometry & MOs

Info

ID:	88779
PubChem CID:	49956761
Reduced:	ClN3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-105.07
Dipole, Da:	6.22
IP(EA), eV:	-8.66(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylphenoxy)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)/C=N/NC(=O)CCC(=O)NC2=CC=CC=C2Cl)OC

DOS

IR

Vibrations