Geometry & MOs

Info

ID:	37820
PubChem CID:	8024860
Reduced:	ON2C19H26 (1)
Stoich.:	AB2C19D26 (1)
Weight, g/mol:	329.132374
ΔH_f, kcal/mol:	90.14
Dipole, Da:	4.06
IP(EA), eV:	-3.63(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl-(4-hydroxycyclohexyl)azanium

Drug info:

PubChemData

Smile

C1C[NH+](CCC1[NH2+]CC2=CC=CC=C2O)CC3=CC=CC=C3

DOS

IR

Vibrations