Geometry & MOs

Info

ID:	28881
PubChem CID:	830211
Reduced:	ON2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	331.126895
ΔH_f, kcal/mol:	-29.9
Dipole, Da:	2.7
IP(EA), eV:	-8.89(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-methyl-N-[(E)-2-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)ethenyl]aniline

Drug info:

PubChemData

Smile

CC[C@@H](C)CN1C2=CC=CC=C2N=C1[C@H](C)O

DOS

IR

Vibrations