Geometry & MOs

Info

ID:	328364
PubChem CID:	126700945
Reduced:	ClN4H9C12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	427.00303
ΔH_f, kcal/mol:	107.69
Dipole, Da:	5.2
IP(EA), eV:	-9.56(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-bromo-12-phenyl-[1]benzothiolo[3,2-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CC3=CC(=NC=C3)Cl

DOS

IR

Vibrations