Geometry & MOs

Info

ID:	174484
PubChem CID:	75771236
Reduced:	ClFO2N3H13C21 (1)
Stoich.:	ABC2D3E13F21 (1)
Weight, g/mol:	314.150467
ΔH_f, kcal/mol:	57.78
Dipole, Da:	4.92
IP(EA), eV:	-9.04(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[2-(4-methylindol-1-yl)ethylcarbamoyl]-6-oxopiperidin-2-olate

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=NC2=O)C3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4Cl)F)C=C1

DOS

IR

Vibrations