Geometry & MOs

Info

ID:	121846
PubChem CID:	50783970
Reduced:	N5O5C22H29 (1)
Stoich.:	A5B5C22D29 (1)
Weight, g/mol:	443.216869
ΔH_f, kcal/mol:	-168.72
Dipole, Da:	4.83
IP(EA), eV:	-8.6(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-6-(propanoylamino)quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC(=O)CN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)COC)C(=C2)C(=O)O

DOS

IR

Vibrations