Geometry & MOs

Info

ID:	316138
PubChem CID:	126630192
Reduced:	ON2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	12.97
Dipole, Da:	2.26
IP(EA), eV:	-9.15(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-(2-ethylquinolin-7-yl)ethenyl]-2,2-dimethyl-1,3-dioxane-5-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)NCC1(CC2=CC=CC=C2C1)C3=CC=CC(=C3)C4=C5C=CNC5=NC=N4

DOS

IR

Vibrations