Geometry & MOs

Info

ID:	144725
PubChem CID:	53403244
Reduced:	ClNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	227.014934
ΔH_f, kcal/mol:	-63.17
Dipole, Da:	1.51
IP(EA), eV:	-8.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-chloro-7-fluoro-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OC

DOS

IR

Vibrations