Geometry & MOs

Info

ID:

15981

PubChem CID:

457170

Reduced:

ClO2N3C45H70 (1)

Stoich.:

AB2C3D45E70 (1)

Weight, g/mol:

719.515656

ΔHf, kcal/mol:

-132.57

Dipole, Da:

6.16

IP(EA), eV:

 -8.69(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;(1S)-3-[2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3C[C@H](CCC3=C)O)C

DOS

IR

Vibrations