Geometry & MOs

Info

ID:	398309
PubChem CID:	135032769
Reduced:	NO4C21H35 (1)
Stoich.:	AB4C21D35 (1)
Weight, g/mol:	227.064295
ΔH_f, kcal/mol:	-230.71
Dipole, Da:	2.77
IP(EA), eV:	-9.16(0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2Z)-2-(pyridin-1-ium-1-ylmethylidene)-3H-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCCC1=CCC[C@H]2COC3(O2)CCCCC3

DOS

IR

Vibrations