Geometry & MOs

Info

ID:	324142
PubChem CID:	126677019
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	306.11907
ΔH_f, kcal/mol:	-118.62
Dipole, Da:	4.55
IP(EA), eV:	-9.48(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,5-dimethylindol-2-yl)-5-ethyl-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC(C(C)N1CC(=O)NC(=O)C1)N2CC(=C)NC(=O)C2

DOS

IR

Vibrations