Geometry & MOs

Info

ID:	162100
PubChem CID:	57393623
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	309.080121
ΔH_f, kcal/mol:	10.62
Dipole, Da:	3.3
IP(EA), eV:	-8.27(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-3-fluoro-4-[6-(3-hydroxybenzoyl)-1H-pyridin-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C3=CC=C(O3)CN4CCOCC4

DOS

IR

Vibrations