Geometry & MOs

Info

ID:	357676
PubChem CID:	127294350
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	374.188881
ΔH_f, kcal/mol:	17.65
Dipole, Da:	8.47
IP(EA), eV:	-8.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C3CCN(C3=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations