Geometry & MOs

Info

ID:	147758
PubChem CID:	53787416
Reduced:	N2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	270.131646
ΔH_f, kcal/mol:	99.02
Dipole, Da:	3.59
IP(EA), eV:	-9.21(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-ethyl-2-[(3-methylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium

Drug info:

PubChemData

Smile

C1CNC(C2=CC=CC=C21)C3=CC=C(C=C3)CN4C=NC=N4

DOS

IR

Vibrations