Geometry & MOs

Info

ID:	56831
PubChem CID:	22394312
Reduced:	ClFNO3C17H23 (1)
Stoich.:	ABCD3E17F23 (1)
Weight, g/mol:	333.032334
ΔH_f, kcal/mol:	-182.2
Dipole, Da:	2.84
IP(EA), eV:	-8.68(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,4-dichlorophenyl)ethyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCCCC1C2(CC3=CC(=C(C=C3C2=O)OC)OC)F.Cl

DOS

IR

Vibrations