Geometry & MOs

Info

ID:	394152
PubChem CID:	135022428
Reduced:	O6H15C22 (1)
Stoich.:	A6B15C22 (1)
Weight, g/mol:	178.042352
ΔH_f, kcal/mol:	-127.4
Dipole, Da:	6.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.895424
Charge, e:	1

Chem-info

IUPAC name:

5-chloro-1-ethyl-2H-indol-2-ylium

Drug info:

PubChemData

Smile

CC(=O)C1=CC(C2C3=CC=CC=C3OC(=O)C2=C1[O-])C(=O)C4=CC=CC=C4O

DOS

IR

Vibrations