Geometry & MOs

Info

ID:	377950
PubChem CID:	134224017
Reduced:	NCl2O4H15C23 (1)
Stoich.:	AB2C4D15E23 (1)
Weight, g/mol:	361.027249
ΔH_f, kcal/mol:	-82.61
Dipole, Da:	6.81
IP(EA), eV:	-9.29(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-chloro-3-(3-chlorobenzoyl)-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C2=C(N(C3=C2C=CC(=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations