Geometry & MOs

Info

ID:	55296
PubChem CID:	17390021
Reduced:	ClOSN2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	237.055656
ΔH_f, kcal/mol:	-23.46
Dipole, Da:	2.49
IP(EA), eV:	-8.31(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-chloro-7-methyl-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OC)C2=CSC(=N2)N.Cl

DOS

IR

Vibrations