Geometry & MOs

Info

ID:	377998
PubChem CID:	134224065
Reduced:	NCl2O3H13C22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	361.092578
ΔH_f, kcal/mol:	-34.26
Dipole, Da:	4.08
IP(EA), eV:	-9.25(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-benzoyl-6-(trifluoromethyl)-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(N2C3=CC(=CC=C3)Cl)C(=O)O)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations