Geometry & MOs

Info

ID:

88614

PubChem CID:

49955736

Reduced:

ClO2N3C14H17 (1)

Stoich.:

AB2C3D14E17 (1)

Weight, g/mol:

325.051058

ΔHf, kcal/mol:

25.41

Dipole, Da:

2.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750022

Charge, e:

 -1

Chem-info

IUPAC name:

1-(7-chloroquinolin-4-yl)piperidine-4-carboxylic acid;chloride

Drug info:

PubChemData

Smile

COCCNCC1=CC(=CC=C1)OC2=NC=CC=N2.[Cl-]

DOS

IR

Vibrations