Geometry & MOs

Info

ID:	25730
PubChem CID:	629787
Reduced:	O13C41H68 (1)
Stoich.:	A13B41C68 (1)
Weight, g/mol:	325.03136
ΔH_f, kcal/mol:	-673.38
Dipole, Da:	4.86
IP(EA), eV:	-9.31(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-bromo-1-ethyl-5-hydroxy-2-methylindole-3-carboxylate

Drug info:

PubChemData

Smile

CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)OC)OC)C)OC(=O)C)C)C4C(CC(O4)C5C(CC(C(O5)(COC(=O)C)O)C)C)C

DOS

IR

Vibrations