Geometry & MOs

Info

ID:	399283
PubChem CID:	135039396
Reduced:	ON2H12C15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	222.128275
ΔH_f, kcal/mol:	70.71
Dipole, Da:	6.12
IP(EA), eV:	-8.92(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(1-cyclopenta-1,4-dien-1-ylethyl)-5-methyl-1H-indole

Drug info:

PubChemData

Smile

C1CC(=O)C2=CC=C(N2C1)C#CC3=CN=CC=C3

DOS

IR

Vibrations