Geometry & MOs

Info

ID:

124977

PubChem CID:

50905960

Reduced:

Cl2N3O4C45H69 (1)

Stoich.:

A2B3C4D45E69 (1)

Weight, g/mol:

647.264125

ΔHf, kcal/mol:

-237.97

Dipole, Da:

3.68

IP(EA), eV:

 -8.35(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl 2-[(2-amino-4-methylpentanoyl)amino]acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCC(=O)OCN1C(=O)CCC2=C1C=C(C=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations