Geometry & MOs

Info

ID:	164574
PubChem CID:	74418684
Reduced:	FON2C20H31 (1)
Stoich.:	ABC2D20E31 (1)
Weight, g/mol:	390.175242
ΔH_f, kcal/mol:	-78.85
Dipole, Da:	2.99
IP(EA), eV:	-8.82(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

C1CC2(CC[NH+](C2)C3CCOCC3)C[NH+](C1)CC4=CC=C(C=C4)F

DOS

IR

Vibrations