Geometry & MOs

Info

ID:

85500

PubChem CID:

49876101

Reduced:

BrClSN2C8H9 (1)

Stoich.:

ABCD2E8F9 (1)

Weight, g/mol:

427.96084

ΔHf, kcal/mol:

18.4

Dipole, Da:

1.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755647

Charge, e:

 -1

Chem-info

IUPAC name:

2-(4-bromophenyl)-6-chloro-4-phenylquinoline;chloride

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)CSC(=N)N.[Cl-]

DOS

IR

Vibrations