Geometry & MOs

Info

ID:	144335
PubChem CID:	53351635
Reduced:	SCl2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	296.152965
ΔH_f, kcal/mol:	82.14
Dipole, Da:	5.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750025
Charge, e:	-1

Chem-info

IUPAC name:

N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;chloride

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)SCCCNCC2=CC=C(C=C2)Cl.[Cl-]

DOS

IR

Vibrations