Geometry & MOs

Info

ID:	83323
PubChem CID:	49857450
Reduced:	OC7H10 (3)
Stoich.:	AB7C10 (3)
Weight, g/mol:	303.127072
ΔH_f, kcal/mol:	-80.81
Dipole, Da:	5.05
IP(EA), eV:	-8.77(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-(6-fluoro-1-methyl-4-oxoquinolin-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@]12CCCC([C@@H]1CC=C([C@@H]2CCC3=COC=C3)C(=O)OC)(C)C

DOS

IR

Vibrations