Geometry & MOs

Info

ID:	216368
PubChem CID:	85086113
Reduced:	ClFHN3O4C8 (1)
Stoich.:	ABCD3E4F8 (1)
Weight, g/mol:	259.022248
ΔH_f, kcal/mol:	-13.73
Dipole, Da:	5.88
IP(EA), eV:	-10.25(-3.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(2-thiophen-2-ylethenyl)-1H-indole

Drug info:

PubChemData

Smile

C1=C(C(=C(C2=NC(=O)C(=O)N=C21)[N+](=O)[O-])F)Cl

DOS

IR

Vibrations