Geometry & MOs

Info

ID:

85512

PubChem CID:

49876270

Reduced:

ClN2O3H14C21 (1)

Stoich.:

AB2C3D14E21 (1)

Weight, g/mol:

382.056558

ΔHf, kcal/mol:

86.03

Dipole, Da:

1.26

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.297281

Charge, e:

 -1

Chem-info

IUPAC name:

6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C3C=CC(=O)C=C3)NC4=C2C=C(C=C4)[N+](=O)[O-].[Cl-]

DOS

IR

Vibrations