Geometry & MOs

Info

ID:	8847
PubChem CID:	82451
Reduced:	SN2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	296.13472
ΔH_f, kcal/mol:	47.9
Dipole, Da:	3.27
IP(EA), eV:	-8.02(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C

DOS

IR

Vibrations