Geometry & MOs

Info

ID:	378002
PubChem CID:	134224070
Reduced:	ClFNO3H19C25 (1)
Stoich.:	ABCD3E19F25 (1)
Weight, g/mol:	433.108086
ΔH_f, kcal/mol:	-91.71
Dipole, Da:	3.31
IP(EA), eV:	-9.05(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-chlorophenyl)-3-(4-methoxybenzoyl)indole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1C3=CC=C(C=C3)C)C=C(C=C2)F)C(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations