Geometry & MOs

Info

ID:	138590
PubChem CID:	52389662
Reduced:	OS2N4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	360.147393
ΔH_f, kcal/mol:	44.96
Dipole, Da:	4.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.796948
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]phenyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NC(=CS1)CC(=O)N(CC2=[N+](C=CN2)C)C3CC3

DOS

IR

Vibrations