Geometry & MOs

Info

ID:	69599
PubChem CID:	47205005
Reduced:	ClNOSH5C6 (2)
Stoich.:	ABCDE5F6 (2)
Weight, g/mol:	267.100777
ΔH_f, kcal/mol:	-26.08
Dipole, Da:	3.64
IP(EA), eV:	-9.07(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(4-oxo-1H-pyridin-3-yl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1COC(=O)N1CCC2=NC(=CS2)C3=C(SC(=C3)Cl)Cl

DOS

IR

Vibrations