Geometry & MOs

Info

ID:	166026
PubChem CID:	74627497
Reduced:	N2O3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	328.148359
ΔH_f, kcal/mol:	-52.8
Dipole, Da:	3.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.115146
Charge, e:	1

Chem-info

IUPAC name:

[2-(1,3-benzothiazol-2-ylamino)-1-(2-methoxyphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCCO2)CNCC(C3=CC=CC=C3)[NH+]4CCCC4

DOS

IR

Vibrations