Geometry & MOs

Info

ID:	315865
PubChem CID:	126629143
Reduced:	N3O3C16H22 (2)
Stoich.:	A3B3C16D22 (2)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-223.93
Dipole, Da:	3.32
IP(EA), eV:	-8.75(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-(2-ethylquinolin-7-yl)ethenyl]-3-methyloxolan-2-one

Drug info:

PubChemData

Smile

C/C=C/C1=CC2=C(C=C1)C=CC(=N2)[C@@H](C)OC(=O)C3CCCN(N3)C(=O)C(CC(=O)N(C)C)NC(=O)[C@H](C(C)C)NC(=O)C

DOS

IR

Vibrations