Geometry & MOs

Info

ID:	311571
PubChem CID:	126593855
Reduced:	ClN4C27H35 (1)
Stoich.:	AB4C27D35 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	117.54
Dipole, Da:	3.48
IP(EA), eV:	-8.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4,6-trimethylindol-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CCCCCC(CCCCC1)C2=NC(=NC(=N2)Cl)N/C/3=C/C=C\C=C/C=C\C=C/C=C3

DOS

IR

Vibrations