Geometry & MOs

Info

ID:	293876
PubChem CID:	117408346
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	-97.81
Dipole, Da:	3.51
IP(EA), eV:	-9.23(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(2-piperazin-1-ylethyl)-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(=O)OC)C2(CCCCC2)N)C

DOS

IR

Vibrations