Geometry & MOs

Info

ID:	121848
PubChem CID:	50783978
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	427.221954
ΔH_f, kcal/mol:	-93.98
Dipole, Da:	7.52
IP(EA), eV:	-8.38(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-6-(2-methylpropanoylamino)quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4OC)C(=C2)C(=O)O

DOS

IR

Vibrations