Geometry & MOs

Info

ID:	378069
PubChem CID:	134224140
Reduced:	FO3C26H33 (1)
Stoich.:	AB3C26D33 (1)
Weight, g/mol:	486.053798
ΔH_f, kcal/mol:	-166.01
Dipole, Da:	3.57
IP(EA), eV:	-9.39(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorobenzoyl)-1-(4-chlorophenyl)-6-pyridin-3-ylindole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(CCCC1=C(C=C(C=C1)C(=O)OCC)F)CC2=CC=CC=C2C(=C)O

DOS

IR

Vibrations