Geometry & MOs

Info

ID:	233326
PubChem CID:	89650029
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	343.02079
ΔH_f, kcal/mol:	-129.35
Dipole, Da:	2.02
IP(EA), eV:	-9.79(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-bromophenyl)-1H-indole-5-carboxylate

Drug info:

PubChemData

Smile

CCCCC(=O)C(C1=CC=C(C=C1)Cl)NC(=O)O

DOS

IR

Vibrations