Geometry & MOs

Info

ID:	55675
PubChem CID:	17395788
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	343.14514
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	3.64
IP(EA), eV:	-8.49(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-2-methylanilino)-1-(4-phenylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC3=C(C=C2)N(CC3)CC(=O)NC(=O)NC

DOS

IR

Vibrations