Geometry & MOs

Info

ID:	245050
PubChem CID:	99432254
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	392.137222
ΔH_f, kcal/mol:	-32.49
Dipole, Da:	4.42
IP(EA), eV:	-8.44(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-pyrrolidin-1-ylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)COC(=O)C2=CC3=CC=CC=C3N=C2N4CCCC4

DOS

IR

Vibrations