Geometry & MOs

Info

ID:	55989
PubChem CID:	17398248
Reduced:	SN3O4C26H37 (1)
Stoich.:	AB3C4D26E37 (1)
Weight, g/mol:	339.171355
ΔH_f, kcal/mol:	-156.23
Dipole, Da:	4.04
IP(EA), eV:	-9.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-ethylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(C)(C)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations