Geometry & MOs

Info

ID:	30152
PubChem CID:	840329
Reduced:	NCl2O2H7C9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	218.990948
ΔH_f, kcal/mol:	17.94
Dipole, Da:	5.19
IP(EA), eV:	-10.52(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1H-benzo[cd]indole-2-thione

Drug info:

PubChemData

Smile

C1[C@H](C1(Cl)Cl)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations