Geometry & MOs

Info

ID:	132938
PubChem CID:	51448979
Reduced:	N2O6C31H40 (1)
Stoich.:	A2B6C31D40 (1)
Weight, g/mol:	449.244033
ΔH_f, kcal/mol:	-211.73
Dipole, Da:	7.61
IP(EA), eV:	-9.18(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[(4-hexoxyphenyl)carbamoyl]-4-oxo-1-pentylquinolin-2-olate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=C/C(=N\OCC(=O)N[C@@H]([C@@H](C5=CC=CC=C5)O)C(=O)O)/C=C[C@]34C

DOS

IR

Vibrations