Geometry & MOs

Info

ID:	378096
PubChem CID:	134224167
Reduced:	ON3H25C39 (1)
Stoich.:	AB3C25D39 (1)
Weight, g/mol:	394.988276
ΔH_f, kcal/mol:	151.22
Dipole, Da:	1.57
IP(EA), eV:	-8.75(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-chloro-3-(2,4-dichlorobenzoyl)-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2C3=CC=CC=C3N=C2C4=CC=C(C=C4)C5=CC6=C(C=C5)N7C8=C6C=CN=C8C9=CC=CC=C9C7=O

DOS

IR

Vibrations