Geometry & MOs

Info

ID:	377955
PubChem CID:	134224022
Reduced:	NO4C23H23 (1)
Stoich.:	AB4C23D23 (1)
Weight, g/mol:	443.053606
ΔH_f, kcal/mol:	-72.75
Dipole, Da:	14.42
IP(EA), eV:	-9.15(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzoyl-1-(4-chlorophenyl)-6-(trifluoromethyl)indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C#CC4CC4

DOS

IR

Vibrations