Geometry & MOs

Info

ID:

182964

PubChem CID:

76964220

Reduced:

OC6H12 (6)

Stoich.:

AB6C12 (6)

Weight, g/mol:

1262.431478

ΔHf, kcal/mol:

-428.7

Dipole, Da:

4.88

IP(EA), eV:

 -10.64(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;(4S)-4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC[C@H](C(=O)O)O.CCCCCCCCCCCCCCCC[C@@H](C(=O)O)O

DOS

IR

Vibrations