Geometry & MOs

Info

ID:	361844
PubChem CID:	127304815
Reduced:	SO3N5C15H21 (1)
Stoich.:	AB3C5D15E21 (1)
Weight, g/mol:	333.162332
ΔH_f, kcal/mol:	-88.86
Dipole, Da:	6.14
IP(EA), eV:	-8.96(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpyrazol-1-yl)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCN(CC2)C(=O)CN3C(=O)CN(C3=O)C

DOS

IR

Vibrations