Geometry & MOs

Info

ID:

85511

PubChem CID:

49876253

Reduced:

FNCl5H10C21 (1)

Stoich.:

ABC5D10E21 (1)

Weight, g/mol:

377.069295

ΔHf, kcal/mol:

13.56

Dipole, Da:

2.63

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.402668

Charge, e:

 -1

Chem-info

IUPAC name:

4-(6-nitro-4-phenyl-1H-quinolin-2-ylidene)cyclohexa-2,5-dien-1-one;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC(=C(C=C4Cl)Cl)F)Cl.[Cl-]

DOS

IR

Vibrations