Geometry & MOs

Info

ID:	404572
PubChem CID:	135066854
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	219.069557
ΔH_f, kcal/mol:	-83.88
Dipole, Da:	2.28
IP(EA), eV:	-9.1(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-3-fluoro-6-(3-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)CC(=O)OC1=CC=CC=C1/C(=N/OC)/C

DOS

IR

Vibrations