Geometry & MOs

Info

ID:	89757
PubChem CID:	49964396
Reduced:	IN3O3H14C17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	326.073488
ΔH_f, kcal/mol:	6.25
Dipole, Da:	6.6
IP(EA), eV:	-8.79(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide;dihydrochloride

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=O)N1N/C=C/3\C=C(C(=O)C(=C3)I)OC

DOS

IR

Vibrations