Geometry & MOs

Info

ID:	425874
PubChem CID:	135128627
Reduced:	CFH (10)
Stoich.:	ABC (10)
Weight, g/mol:	263.131014
ΔH_f, kcal/mol:	-516.3
Dipole, Da:	0.3
IP(EA), eV:	-11.34(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-cyclohexa-2,4-dien-1-ylethenyl]-3-methyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C[C@H](C(/C(=C(/C(C)(F)F)\F)/F)(F)F)C(C(C)(F)F)(F)F

DOS

IR

Vibrations