Geometry & MOs

Info

ID:	378020
PubChem CID:	134224088
Reduced:	ON3H21C31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	485.035227
ΔH_f, kcal/mol:	127.6
Dipole, Da:	1.79
IP(EA), eV:	-8.75(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC(=C4)C5=NC6=C(C=CC=C6O)C=C5

DOS

IR

Vibrations