Geometry & MOs

Info

ID:

190898

PubChem CID:

78072806

Reduced:

N4O14C57H68 (1)

Stoich.:

A4B14C57D68 (1)

Weight, g/mol:

479.172417

ΔHf, kcal/mol:

-444.94

Dipole, Da:

6.73

IP(EA), eV:

 -8.02(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-aminopiperidin-1-yl)-3-[2-(2-chlorophenyl)ethyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-8-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC2CC(C1)CC3=C(C(C2)(C4=C(C=C5C(=C4)C67CCN8C6C(C=CC8)(C(C(C7N5C)(CNC(=O)C9=CC=CC=C9OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C31.C(C(C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations